NMR Tables Bruker2012

2
H
H
H
He
Li
Li
Be
B
B
C
N
N
O
F
Ne
Na
Mg
Al
Si
P
S
Cl
Cl
K
K
Ca
Sc
Ti
Ti
V
V
Cr
Mn
Fe
Co
Ni
Cu
Cu
Zn
Ga
Ga
1
2
3
3
6
7
9
10
11
13
14
15
17
19
21
23
25
27
29
31
33
35
37
39
41
43
45
47
49
50
51
53
55
57
59
61
63
65
67
69
71
Isotope

1/2
1
1/2
1/2
1
3/2
3/2
3
3/2
1/2
1
1/2
5/2
1/2
3/2
3/2
5/2
5/2
1/2
1/2
3/2
3/2
3/2
3/2
3/2
7/2
7/2
5/2
7/2
6
7/2
3/2
5/2
1/2
7/2
3/2
3/2
3/2
5/2
3/2
3/2
Spin

(%)
99.9885
0.0115

1.34E-04
7.59
92.41
100.0
19.9
80.1
1.07
99.636
0.364
0.038
100.0
0.27
100.0
10.00
100.0
4.685
100.0
0.75
75.76
24.24
93.258
6.730
0.135
100.0
7.44
5.41
0.250
99.750
9.501
100.0
2.119
100.0
1.1399
69.15
30.85
4.102
60.108
39.892
Nat.
Abund.
Natural
rel. 13C
5.87E+03
6.52E03
-
3.48E03
3.79E+00
1.59E+03
8.15E+01
2.32E+01
7.77E+02
1.00E+00
5.90E+00
2.23E02
6.50E02
4.89E+03
3.91E02
5.45E+02
1.58E+00
1.22E+03
2.16E+00
3.91E+02
1.00E01
2.10E+01
3.88E+00
2.79E+00
3.34E02
5.10E02
1.78E+03
9.18E01
1.20E+00
8.18E01
2.25E+03
5.07E01
1.05E+03
4.25E03
1.64E+03
2.40E01
3.82E+02
2.08E+02
6.92E01
2.46E+02
3.35E+02
Molar
rel. 1H
1.00E+00
9.65E03
1.21E+00
4.42E01
8.50E03
2.94E01
1.39E02
1.99E02
1.65E01
1.59E02
1.01E03
1.04E03
2.91E02
8.32E01
2.46E03
9.27E02
2.68E03
2.07E01
7.86E03
6.65E02
2.27E03
4.72E03
2.72E03
5.10E04
8.44E05
6.43E03
3.02E01
2.10E03
3.78E03
5.57E02
3.84E01
9.08E04
1.79E01
3.42E05
2.78E01
3.59E03
9.39E02
1.15E01
2.87E03
6.97E02
1.43E01
Receptivity
7.04925
300.130
46.072
320.131
228.636
44.167
116.642
42.174
32.245
96.294
75.468
21.688
30.423
40.687
282.404
23.693
79.390
18.373
78.204
59.627
121.495
23.038
29.406
24.478
14.005
7.687
20.199
72.907
16.920
16.924
29.924
78.943
16.965
74.400
9.718
71.212
26.820
79.581
85.248
18.779
72.035
91.530
9.39798
400.130
61.422
426.795
304.815
58.883
155.506
56.226
42.989
128.378
100.613
28.915
40.560
54.243
376.498
31.587
105.842
24.494
104.261
79.495
161.976
30.714
39.204
32.634
18.672
10.249
26.929
97.199
22.557
22.563
39.894
105.246
22.617
99.189
12.955
94.939
35.756
106.096
113.652
25.035
96.037
122.026
11.7467
500.130
76.773
533.459
380.994
73.600
194.370
70.277
53.732
160.462
125.758
36.141
50.697
67.800
470.592
39.482
132.294
30.616
130.318
99.362
202.457
38.390
49.002
40.789
23.338
12.810
33.659
121.490
28.195
28.203
49.865
131.549
28.270
123.978
16.193
118.666
44.692
132.612
142.055
31.292
120.038
152.523
14.0954
600.130
92.124
640.123
457.173
88.316
233.233
84.329
64.476
192.546
150.903
43.367
60.834
81.356
564.686
47.376
158.746
36.738
156.375
119.229
242.938
46.066
58.800
48.945
28.004
15.371
40.389
145.782
33.833
33.842
59.835
157.852
33.922
148.768
19.431
142.393
53.628
159.127
170.459
37.549
144.039
183.020
16.4442
700.130
107.474
746.786
533.352
103.032
272.097
98.381
75.220
224.630
176.048
50.594
70.971
94.913
658.780
55.270
185.198
42.859
182.432
139.096
283.419
53.742
68.598
57.101
32.671
17.932
47.119
170.074
39.470
39.481
69.805
184.155
39.575
173.557
22.669
166.120
62.564
185.643
198.863
43.806
168.041
213.517
17.6185
750.130
115.150
800.118
571.441
110.390
291.529
105.407
80.591
240.672
188.620
54.207
76.039
101.691
705.827
59.217
198.424
45.920
195.460
149.030
303.659
57.580
73.497
61.179
35.004
19.213
50.484
182.220
42.289
42.300
74.790
197.306
42.401
185.951
24.288
177.984
67.032
198.901
213.065
46.934
180.041
228.765
18.7929
800.130
122.825
853.450
609.531
117.748
310.961
112.433
85.963
256.714
201.193
57.820
81.107
108.469
752.874
63.165
211.650
48.981
208.489
158.963
323.900
61.418
78.396
65.256
37.337
20.494
53.849
194.366
45.108
45.120
79.775
210.458
45.227
198.346
25.906
189.847
71.500
212.158
227.266
50.063
192.042
244.013
19.9673
850.130
130.500
906.782
647.620
125.106
330.393
119.459
91.335
272.755
213.765
61.433
86.176
115.248
799.921
67.112
224.876
52.042
221.517
168.897
344.140
65.256
83.295
69.334
39.670
21.774
57.214
206.511
47.926
47.939
84.761
223.609
48.054
210.741
27.525
201.711
75.968
225.416
241.468
53.191
204.043
259.262
21.1416
900.130
138.175
960.114
685.710
132.464
349.825
126.485
96.707
288.797
226.338
65.046
91.244
122.026
846.968
71.059
238.101
55.103
234.546
178.831
364.380
69.094
88.194
73.412
42.003
23.055
60.579
218.657
50.745
50.759
89.746
236.761
50.880
223.135
29.144
213.575
80.436
238.674
255.670
56.319
216.043
274.510
22.3160
950.130
145.851
1013.446
723.799
139.822
369.257
133.510
102.079
304.839
238.910
68.659
96.312
128.804
894.015
75.006
251.327
58.163
247.574
188.764
384.621
72.932
93.093
77.490
44.337
24.336
63.944
230.803
53.564
53.578
94.731
249.912
53.706
235.530
30.763
225.438
84.904
251.931
269.872
59.448
228.044
289.758
23.4904
1000.130
153.526
1066.778
761.889
147.180
388.688
140.536
107.451
320.881
251.483
72.273
101.381
135.582
941.062
78.953
264.553
61.224
260.602
198.698
404.861
76.770
97.992
81.568
46.670
25.616
67.309
242.949
56.383
56.398
99.716
263.064
56.532
247.924
32.382
237.302
89.372
265.189
284.074
62.576
240.045
305.007
Larmor Frequencies (MHz) vs. Bruker Field Strengths (Tesla)

Freq. to 3 decimals are experimental for IUPAC Standards; freq. to 2 dec. are calculated from magn. moments
NMR Frequency Tables
NMR Frequencies vs. Bruker Field Strengths sorted by increasing atomic number
Ge
As
Se
Br
Br
Kr
Rb
Rb
Sr
Y
Zr
Nb
Mo
Mo
Tc
Ru
Ru
Rh
Pd
Ag
Ag
Cd
Cd
In
In
Sn
Sn
Sn
Sb
Sb
Te
Te
I
Xe
Xe
Cs
Ba
Ba
La
La
Pr
73
75
77
79
81
83
85
87
87
89
91
93
95
97
99
99
101
103
105
107
109
111
113
113
115
115
117
119
121
123
123
125
127
129
131
133
135
137
138
139
141
Isotope

9/2
3/2
1/2
3/2
3/2
9/2
5/2
3/2
9/2
1/2
5/2
9/2
5/2
5/2
9/2
5/2
5/2
1/2
5/2
1/2
1/2
1/2
1/2
9/2
9/2
1/2
1/2
1/2
5/2
7/2
1/2
1/2
5/2
1/2
3/2
7/2
3/2
3/2
5
7/2
5/2
Spin

(%)
7.76
100.0
7.63
50.69
49.31
11.500
72.17
27.83
7.00
100.0
11.22
100.0
15.90
9.56

12.76
17.06
100.0
22.33
51.839
48.161
12.80
12.22
4.29
95.71
0.34
7.68
8.59
57.21
42.79
0.89
7.07
100.0
26.4006
21.2324
100.0
6.592
11.232
0.090
99.910
100.0
Nat.
Abund.
Natural
rel. 13C
6.44E01
1.49E+02
3.15E+00
2.37E+02
2.88E+02
1.28E+00
4.50E+01
2.90E+02
1.12E+00
7.00E01
6.26E+00
2.87E+03
3.06E+00
1.96E+00
-
8.46E01
1.58E+00
1.86E01
1.49E+00
2.05E01
2.90E01
7.27E+00
7.94E+00
8.85E+01
1.99E+03
7.11E01
2.08E+01
2.66E+01
5.48E+02
1.17E+02
9.61E01
1.34E+01
5.60E+02
3.35E+01
3.51E+00
2.84E+02
1.94E+00
4.62E+00
4.97E01
3.56E+02
1.97E+03

Molar
7.04925 9.39798 11.7467 14.0954 16.4442 17.6185 18.7929 19.9673 21.1416 22.3160 23.4904
rel. 1H
1.41E03 10.469 13.958 17.446 20.934 24.423 26.167 27.911 29.655 31.399 33.144 34.888
2.54E02 51.390 68.513 85.635 102.758 119.881 128.442 137.003 145.564 154.126 162.687 171.248
7.03E03 57.239 76.311 95.382 114.454 133.525 143.061 152.597 162.133 171.668 181.204 190.740
7.94E02 75.195 100.248 125.302 150.356 175.410 187.937 200.464 212.991 225.518 238.045 250.572
9.95E02 81.055 108.061 135.068 162.074 189.081 202.584 216.087 229.591 243.094 256.597 270.100
1.90E03 11.548 15.395 19.243 23.091 26.938 28.862 30.786 32.710 34.633 36.557 38.481
1.06E02 28.977 38.632 48.287 57.942 67.597 72.425 77.252 82.080 86.907 91.735 96.562
1.77E01 98.204 130.924 163.645 196.365 229.086 245.446 261.806 278.166 294.527 310.887 327.247
2.72E03 13.007 17.341 21.675 26.009 30.342 32.509 34.676 36.843 39.010 41.177 43.344
1.19E04 14.707 19.607 24.507 29.408 34.308 36.758 39.208 41.658 44.108 46.558 49.008
9.49E03 27.901 37.197 46.494 55.790 65.086 69.734 74.382 79.031 83.679 88.327 92.975
4.88E01 73.460 97.936 122.413 146.889 171.365 183.603 195.841 208.079 220.317 232.555 244.794
3.27E03 19.559 26.076 32.593 39.110 45.627 48.885 52.144 55.402 58.661 61.919 65.178
3.49E03 19.970 26.623 33.277 39.931 46.585 49.911 53.238 56.565 59.892 63.219 66.546
3.82E01 67.554 90.063 112.571 135.079 157.588 168.842 180.096 191.350 202.604 213.858 225.113
1.13E03 13.821 18.427 23.032 27.637 32.242 34.545 36.847 39.150 41.452 43.755 46.057
1.57E03 15.491 20.652 25.814 30.975 36.136 38.717 41.298 43.878 46.459 49.040 51.620
3.17E05
9.563 12.750 15.936 19.123 22.309 23.902 25.496 27.089 28.682 30.275 31.869
1.13E03 13.734 18.310 22.886 27.463 32.039 34.327 36.615 38.903 41.191 43.479 45.767
6.74E05 12.149 16.197 20.244 24.292 28.340 30.364 32.388 34.412 36.436 38.460 40.483
1.02E04 13.967 18.620 23.274 27.927 32.581 34.908 37.234 39.561 41.888 44.215 46.541
9.66E03 63.674 84.890 106.105 127.320 148.536 159.144 169.751 180.359 190.967 201.575 212.182
1.11E02 66.608 88.802 110.995 133.188 155.381 166.478 177.574 188.671 199.767 210.864 221.961
3.51E01 65.626 87.491 109.357 131.223 153.089 164.022 174.954 185.887 196.820 207.753 218.686
3.53E01 65.766 87.679 109.592 131.504 153.417 164.373 175.330 186.286 197.242 208.198 219.155
3.56E02 98.199 130.918 163.636 196.355 229.074 245.433 261.793 278.152 294.511 310.871 327.230
4.60E02 106.943 142.575 178.208 213.840 249.472 267.288 285.104 302.921 320.737 338.553 356.369
5.27E02 111.920 149.211 186.502 223.792 261.083 279.728 298.374 317.019 335.664 354.309 372.955
1.63E01 71.823 95.753 119.684 143.615 167.545 179.510 191.476 203.441 215.406 227.372 239.337
4.66E02 38.894 51.854 64.813 77.772 90.731 97.211 103.691 110.170 116.650 123.129 129.609
1.84E02 78.543 104.713 130.883 157.052 183.222 196.307 209.392 222.477 235.562 248.647 261.731
3.22E02 94.690 126.240 157.790 189.340 220.889 236.664 252.439 268.214 283.989 299.764 315.539
9.54E02 60.048 80.056 100.063 120.071 140.078 150.082 160.086 170.090 180.093 190.097 200.101
2.16E02 83.467 111.277 139.087 166.897 194.707 208.613 222.518 236.423 250.328 264.233 278.138
2.82E03 24.742 32.986 41.230 49.474 57.718 61.840 65.962 70.084 74.206 78.328 82.450
4.84E02 39.365 52.482 65.598 78.714 91.830 98.388 104.946 111.504 118.062 124.620 131.178
5.01E03 29.816 39.751 49.685 59.620 69.554 74.521 79.489 84.456 89.423 94.390 99.357
7.00E03 33.353 44.466 55.579 66.692 77.805 83.361 88.918 94.474 100.031 105.587 111.144
9.40E02 39.600 52.794 65.989 79.183 92.377 98.974 105.572 112.169 118.766 125.363 131.960
6.06E02 42.395 56.521 70.647 84.772 98.898 105.961 113.023 120.086 127.149 134.212 141.275
3.35E01 91.89 122.51 153.12 183.74 214.36 229.67 244.97 260.28 275.59 290.90 306.21
Receptivity

143
145
147
149
151
153
155
157
159
161
163
165
167
169
171
173
175
176
177
179
181
183
185
187
187
189
191
193
195
197
199
201
203
205
207
209
209
231
235
Nd
Nd
Sm
Sm
Eu
Eu
Gd
Gd
Tb
Dy
Dy
Ho
Er
Tm
Yb
Yb
Lu
Lu
Hf
Hf
Ta
W
Re
Re
Os
Os
Ir
Ir
Pt
Au
Hg
Hg
Tl
Tl
Pb
Bi
Po
Pa
U
Isotope

7/2
7/2
7/2
7/2
5/2
5/2
3/2
3/2
3/2
5/2
5/2
7/2
7/2
1/2
1/2
5/2
7/2
7
7/2
9/2
7/2
1/2
5/2
5/2
1/2
3/2
3/2
3/2
1/2
3/2
1/2
3/2
1/2
1/2
1/2
9/2
1/2
3/2
7/2
Spin

12.2
8.3
14.99
13.82
47.81
52.19
14.80
15.65
100.0
18.889
24.896
100.0
22.869
100.0
14.28
16.13
97.41
2.59
18.60
13.62
99.988
14.31
37.40
62.60
1.96
16.15
37.3
62.7
33.832
100.0
16.87
13.18
29.52
70.48
22.1
100.0

100.0
0.7204
(%)
Nat.
Abund.
Natural
rel. 13C
2.43E+00
3.87E01
1.34E+00
6.92E01
5.04E+02
4.73E+01
1.26E01
3.00E01
4.08E+02
5.26E01
1.91E+00
1.16E+03
6.77E01
3.32E+00
4.63E+00
1.28E+00
1.79E+02
6.05E+00
1.53E+00
4.38E01
2.20E+02
6.31E02
3.05E+02
5.26E+02
1.43E03
2.32E+00
6.38E02
1.37E01
2.07E+01
1.62E01
5.89E+00
1.16E+00
3.40E+02
8.36E+02
1.18E+01
8.48E+02
-
4.06E+02
6.53E03

43.59
26.85
33.35
27.49
198.92
87.80
24.56
32.21
192.33
27.50
38.56
169.11
23.08
66.18
140.017
38.96
91.36
64.85
32.48
20.40
95.932
33.337
180.226
182.042
18.262
62.133
14.39
15.63
172.002
14.15
143.310
52.901
457.060
461.546
167.392
128.575
194.81
191.95
14.734
46.31
28.53
35.43
29.21
211.35
93.29
26.10
34.22
204.35
29.22
40.97
179.68
24.52
70.32
148.767
41.39
97.07
68.90
34.51
21.68
101.927
35.420
191.488
193.418
19.403
66.016
15.29
16.61
182.751
15.03
152.265
56.207
485.621
490.388
177.852
136.610
206.99
203.94
15.654
49.04
30.20
37.52
30.93
223.78
98.78
27.63
36.24
216.37
30.94
43.38
190.25
25.96
74.45
157.517
43.83
102.78
72.95
36.53
22.95
107.922
37.503
202.751
204.794
20.544
69.899
16.19
17.59
193.499
15.92
161.221
59.513
514.183
519.230
188.313
144.644
219.16
215.94
16.575
51.76
31.88
39.60
32.64
236.22
104.26
29.17
38.25
228.39
32.66
45.79
200.82
27.40
78.59
166.266
46.26
108.49
77.01
38.56
24.23
113.917
39.586
214.013
216.170
21.685
73.781
17.09
18.56
204.247
16.80
170.176
62.819
542.745
548.071
198.773
152.679
231.34
227.93
17.496
54.48
33.56
41.68
34.36
248.65
109.75
30.70
40.26
240.41
34.38
48.20
211.38
28.85
82.72
175.016
48.69
114.20
81.06
40.59
25.50
119.912
41.669
225.275
227.546
22.826
77.664
17.99
19.54
214.996
17.69
179.132
66.124
571.306
576.913
209.233
160.714
243.51
239.93
18.416
18.7929 19.9673 21.1416 22.3160 23.4904

Molar
7.04925 9.39798 11.7467 14.0954 16.4442 17.6185
rel. 1H
3.39E03 16.35 21.80 27.25 32.69 38.14 40.86
7.93E04 10.07 13.43 16.78 20.14 23.49 25.17
1.52E03 12.51 16.68 20.84 25.01 29.18 31.26
8.52E04 10.31 13.75 17.18 20.62 24.06 25.77
1.79E01 74.62 99.48 124.34 149.20 174.06 186.49
1.54E02 32.94 43.91 54.88 65.86 76.83 82.32
1.45E04
9.21 12.28 15.35 18.42 21.49 23.03
3.26E04 12.08 16.11 20.13 24.16 28.19 30.20
6.94E02 72.14 96.18 120.22 144.26 168.29 180.31
4.74E04 10.32 13.75 17.19 20.63 24.07 25.78
1.31E03 14.46 19.28 24.10 28.92 33.74 36.15
1.98E01 63.43 84.57 105.71 126.84 147.98 158.54
5.04E04
8.66 11.54 14.42 17.31 20.19 21.63
5.66E04 24.82 33.10 41.37 49.64 57.91 62.04
5.52E03 52.521 70.020 87.519 105.019 122.518 131.268
1.35E03 14.61 19.48 24.35 29.22 34.09 36.52
3.13E02 34.27 45.69 57.11 68.53 79.94 85.65
3.98E02 24.33 32.43 40.53 48.64 56.74 60.80
1.40E03 12.18 16.24 20.30 24.36 28.42 30.45
5.47E04
7.65 10.20 12.75 15.30 17.85 19.13
3.74E02 35.984 47.974 59.964 71.953 83.943 89.938
7.50E05 12.505 16.671 20.837 25.004 29.170 31.253
1.39E01 67.603 90.128 112.652 135.177 157.701 168.964
1.43E01 68.284 91.036 113.788 136.539 159.291 170.667
1.24E05
6.850
9.132 11.415 13.697 15.979 17.120
2.44E03 23.306 31.072 38.837 46.602 54.368 58.251
2.91E05
5.40
7.20
9.00 10.79 12.59 13.49
3.73E05
5.86
7.82
9.77 11.73 13.68 14.66
1.04E02 64.518 86.015 107.512 129.009 150.505 161.254
2.76E05
5.31
7.08
8.84 10.61 12.38 13.26
5.94E03 53.756 71.667 89.577 107.488 125.399 134.354
1.49E03 19.843 26.455 33.067 39.678 46.290 49.595
1.96E01 171.444 228.567 285.690 342.813 399.937 428.498
2.02E01 173.127 230.810 288.494 346.178 403.862 432.704
9.06E03 62.789 83.710 104.630 125.551 146.471 156.932
1.44E01 48.229 64.298 80.367 96.437 112.506 120.541
1.44E02 73.08 97.42 121.77 146.12 170.47 182.64
6.90E02 72.00 95.99 119.98 143.97 167.96 179.96
1.54E04
5.527
7.368
9.209 11.051 12.892 13.813
Receptivity
3
1
19
3
205
203
31
7
119
117
87
115
11
125
141
71
65
129
81
63
23
51
123
27
13
79
151
55
93
209
45
159
69
231
121
59
187
185
99
113
115
H
H
F
He
Tl
Tl
P
Li
Sn
Sn
Rb
Sn
B
Te
Pr
Ga
Cu
Xe
Br
Cu
Na
V
Te
Al
C
Br
Eu
Mn
Nb
Po
Sc
Tb
Ga
Pa
Sb
Co
Re
Re
Tc
Cd
In
Isotope

(%)

99.9885
100.0
1.34E04
70.48
29.52
100.0
92.41
8.59
7.68
27.83
0.34
80.1
7.07
100.0
39.892
30.85
26.4006
49.31
69.15
100.0
99.750
0.89
100.0
1.07
50.69
47.81
100.0
100.0

100.0
100.0
60.108
100.0
57.21
100.0
62.60
37.40

12.22
95.71
1/2
1/2
1/2
1/2
1/2
1/2
1/2
3/2
1/2
1/2
3/2
1/2
3/2
1/2
5/2
3/2
3/2
1/2
3/2
3/2
3/2
7/2
1/2
5/2
1/2
3/2
5/2
5/2
9/2
1/2
7/2
3/2
3/2
3/2
5/2
7/2
5/2
5/2
9/2
1/2
9/2
Nat.
Abund.
Spin

5.87E+03
4.89E+03
3.48E03
8.36E+02
3.40E+02
3.91E+02
1.59E+03
2.66E+01
2.08E+01
2.90E+02
7.11E01
7.77E+02
1.34E+01
1.97E+03
3.35E+02
2.08E+02
3.35E+01
2.88E+02
3.82E+02
5.45E+02
2.25E+03
9.61E01
1.22E+03
1.00E+00
2.37E+02
5.04E+02
1.05E+03
2.87E+03

1.78E+03
4.08E+02
2.46E+02
4.06E+02
5.48E+02
1.64E+03
5.26E+02
3.05E+02

7.94E+00
1.99E+03
Natural
rel. 13C
Molar
rel. 1H
1.21E+00
1.00E+00
8.32E01
4.42E01
2.02E01
1.96E01
6.65E02
2.94E01
5.27E02
4.60E02
1.77E01
3.56E02
1.65E01
3.22E02
3.35E01
1.43E01
1.15E01
2.16E02
9.95E02
9.39E02
9.27E02
3.84E01
1.84E02
2.07E01
1.59E02
7.94E02
1.79E01
1.79E01
4.88E01
1.44E02
3.02E01
6.94E02
6.97E02
6.90E02
1.63E01
2.78E01
1.43E01
1.39E01
3.82E01
1.11E02
3.53E01
Receptivity
320.131
300.130
282.404
228.636
173.127
171.444
121.495
116.642
111.920
106.943
98.204
98.199
96.294
94.690
91.89
91.530
85.248
83.467
81.055
79.581
79.390
78.943
78.543
78.204
75.468
75.195
74.62
74.400
73.460
73.08
72.907
72.14
72.035
72.00
71.823
71.212
68.284
67.603
67.554
66.608
65.766
426.795
400.130
376.498
304.815
230.810
228.567
161.976
155.506
149.211
142.575
130.924
130.918
128.378
126.240
122.51
122.026
113.652
111.277
108.061
106.096
105.842
105.246
104.713
104.261
100.613
100.248
99.48
99.189
97.936
97.42
97.199
96.18
96.037
95.99
95.753
94.939
91.036
90.128
90.063
88.802
87.679
533.459
500.130
470.592
380.994
288.494
285.690
202.457
194.370
186.502
178.208
163.645
163.636
160.462
157.790
153.12
152.523
142.055
139.087
135.068
132.612
132.294
131.549
130.883
130.318
125.758
125.302
124.34
123.978
122.413
121.77
121.490
120.22
120.038
119.98
119.684
118.666
113.788
112.652
112.571
110.995
109.592
640.123
600.130
564.686
457.173
346.178
342.813
242.938
233.233
223.792
213.840
196.365
196.355
192.546
189.340
183.74
183.020
170.459
166.897
162.074
159.127
158.746
157.852
157.052
156.375
150.903
150.356
149.20
148.768
146.889
146.12
145.782
144.26
144.039
143.97
143.615
142.393
136.539
135.177
135.079
133.188
131.504
746.786
700.130
658.780
533.352
403.862
399.937
283.419
272.097
261.083
249.472
229.086
229.074
224.630
220.889
214.36
213.517
198.863
194.707
189.081
185.643
185.198
184.155
183.222
182.432
176.048
175.410
174.06
173.557
171.365
170.47
170.074
168.29
168.041
167.96
167.545
166.120
159.291
157.701
157.588
155.381
153.417
800.118
750.130
705.827
571.441
432.704
428.498
303.659
291.529
279.728
267.288
245.446
245.433
240.672
236.664
229.67
228.765
213.065
208.613
202.584
198.901
198.424
197.306
196.307
195.460
188.620
187.937
186.49
185.951
183.603
182.64
182.220
180.31
180.041
179.96
179.510
177.984
170.667
168.964
168.842
166.478
164.373
853.450
800.130
752.874
609.531
461.546
457.060
323.900
310.961
298.374
285.104
261.806
261.793
256.714
252.439
244.97
244.013
227.266
222.518
216.087
212.158
211.650
210.458
209.392
208.489
201.193
200.464
198.92
198.346
195.841
194.81
194.366
192.33
192.042
191.95
191.476
189.847
182.042
180.226
180.096
177.574
175.330
906.782
850.130
799.921
647.620
490.388
485.621
344.140
330.393
317.019
302.921
278.166
278.152
272.755
268.214
260.28
259.262
241.468
236.423
229.591
225.416
224.876
223.609
222.477
221.517
213.765
212.991
211.35
210.741
208.079
206.99
206.511
204.35
204.043
203.94
203.441
201.711
193.418
191.488
191.350
188.671
186.286
960.114
900.130
846.968
685.710
519.230
514.183
364.380
349.825
335.664
320.737
294.527
294.511
288.797
283.989
275.59
274.510
255.670
250.328
243.094
238.674
238.101
236.761
235.562
234.546
226.338
225.518
223.78
223.135
220.317
219.16
218.657
216.37
216.043
215.94
215.406
213.575
204.794
202.751
202.604
199.767
197.242
1013.446
950.130
894.015
723.799
548.071
542.745
384.621
369.257
354.309
338.553
310.887
310.871
304.839
299.764
290.90
289.758
269.872
264.233
256.597
251.931
251.327
249.912
248.647
247.574
238.910
238.045
236.22
235.530
232.555
231.34
230.803
228.39
228.044
227.93
227.372
225.438
216.170
214.013
213.858
210.864
208.198
1066.778
1000.130
941.062
761.889
576.913
571.306
404.861
388.688
372.955
356.369
327.247
327.230
320.881
315.539
306.21
305.007
284.074
278.138
270.100
265.189
264.553
263.064
261.731
260.602
251.483
250.572
248.65
247.924
244.794
243.51
242.949
240.41
240.045
239.93
239.337
237.302
227.546
225.275
225.113
221.961
219.155
7.04925 9.39798 11.7467 14.0954 16.4442 17.6185 18.7929 19.9673 21.1416 22.3160 23.4904


NMR Frequencies vs. Bruker Field Strengths sorted with decreasing Larmor frequency
113
195
111
165
207
127
29
77
199
171
75
209
2
6
139
9
17
138
133
123
181
175
137
153
10
15
50
135
35
85
91
61
169
131
37
176
21
189
33
14
43
In
Pt
Cd
Ho
Pb
I
Si
Se
Hg
Yb
As
Bi
H
Li
La
Be
O
La
Cs
Sb
Ta
Lu
Ba
Eu
B
N
V
Ba
Cl
Rb
Zr
Ni
Tm
Xe
Cl
Lu
Ne
Os
S
N
Ca
Isotope

9/2
1/2
1/2
7/2
1/2
5/2
1/2
1/2
1/2
1/2
3/2
9/2
1
1
7/2
3/2
5/2
5
7/2
7/2
7/2
7/2
3/2
5/2
3
1/2
6
3/2
3/2
5/2
5/2
3/2
1/2
3/2
3/2
7
3/2
3/2
3/2
1
7/2
Spin

4.29
33.832
12.80
100.0
22.1
100.0
4.685
7.63
16.87
14.28
100.0
100.0
0.0115
7.59
99.910
100.0
0.038
0.090
100.0
42.79
99.988
97.41
11.232
52.19
19.9
0.364
0.250
6.592
75.76
72.17
11.22
1.1399
100.0
21.2324
24.24
2.59
0.27
16.15
0.75
99.636
0.135
(%)
Nat.
Abund.
Natural
rel. 13C
8.85E+01
2.07E+01
7.27E+00
1.16E+03
1.18E+01
5.60E+02
2.16E+00
3.15E+00
5.89E+00
4.63E+00
1.49E+02
8.48E+02
6.52E03
3.79E+00
3.56E+02
8.15E+01
6.50E02
4.97E01
2.84E+02
1.17E+02
2.20E+02
1.79E+02
4.62E+00
4.73E+01
2.32E+01
2.23E02
8.18E01
1.94E+00
2.10E+01
4.50E+01
6.26E+00
2.40E01
3.32E+00
3.51E+00
3.88E+00
6.05E+00
3.91E02
2.32E+00
1.00E01
5.90E+00
5.10E02

174.954
172.002
169.751
169.11
167.392
160.086
158.963
152.597
143.310
140.017
137.003
128.575
122.825
117.748
113.023
112.433
108.469
105.572
104.946
103.691
95.932
91.36
88.918
87.80
85.963
81.107
79.775
79.489
78.396
77.252
74.382
71.500
66.18
65.962
65.256
64.85
63.165
62.133
61.418
57.820
53.849
185.887
182.751
180.359
179.68
177.852
170.090
168.897
162.133
152.265
148.767
145.564
136.610
130.500
125.106
120.086
119.459
115.248
112.169
111.504
110.170
101.927
97.07
94.474
93.29
91.335
86.176
84.761
84.456
83.295
82.080
79.031
75.968
70.32
70.084
69.334
68.90
67.112
66.016
65.256
61.433
57.214
196.820
193.499
190.967
190.25
188.313
180.093
178.831
171.668
161.221
157.517
154.126
144.644
138.175
132.464
127.149
126.485
122.026
118.766
118.062
116.650
107.922
102.78
100.031
98.78
96.707
91.244
89.746
89.423
88.194
86.907
83.679
80.436
74.45
74.206
73.412
72.95
71.059
69.899
69.094
65.046
60.579
207.753
204.247
201.575
200.82
198.773
190.097
188.764
181.204
170.176
166.266
162.687
152.679
145.851
139.822
134.212
133.510
128.804
125.363
124.620
123.129
113.917
108.49
105.587
104.26
102.079
96.312
94.731
94.390
93.093
91.735
88.327
84.904
78.59
78.328
77.490
77.01
75.006
73.781
72.932
68.659
63.944
218.686
214.996
212.182
211.38
209.233
200.101
198.698
190.740
179.132
175.016
171.248
160.714
153.526
147.180
141.275
140.536
135.582
131.960
131.178
129.609
119.912
114.20
111.144
109.75
107.451
101.381
99.716
99.357
97.992
96.562
92.975
89.372
82.72
82.450
81.568
81.06
78.953
77.664
76.770
72.273
67.309
18.7929 19.9673 21.1416 22.3160 23.4904

Molar
7.04925 9.39798 11.7467 14.0954 16.4442 17.6185
rel. 1H
3.51E01 65.626 87.491 109.357 131.223 153.089 164.022
1.04E02 64.518 86.015 107.512 129.009 150.505 161.254
9.66E03 63.674 84.890 106.105 127.320 148.536 159.144
1.98E01 63.43 84.57 105.71 126.84 147.98 158.54
9.06E03 62.789 83.710 104.630 125.551 146.471 156.932
9.54E02 60.048 80.056 100.063 120.071 140.078 150.082
7.86E03 59.627 79.495 99.362 119.229 139.096 149.030
7.03E03 57.239 76.311 95.382 114.454 133.525 143.061
5.94E03 53.756 71.667 89.577 107.488 125.399 134.354
5.52E03 52.521 70.020 87.519 105.019 122.518 131.268
2.54E02 51.390 68.513 85.635 102.758 119.881 128.442
1.44E01 48.229 64.298 80.367 96.437 112.506 120.541
9.65E03 46.072 61.422 76.773 92.124 107.474 115.150
8.50E03 44.167 58.883 73.600 88.316 103.032 110.390
6.06E02 42.395 56.521 70.647 84.772 98.898 105.961
1.39E02 42.174 56.226 70.277 84.329 98.381 105.407
2.91E02 40.687 54.243 67.800 81.356 94.913 101.691
9.40E02 39.600 52.794 65.989 79.183 92.377 98.974
4.84E02 39.365 52.482 65.598 78.714 91.830 98.388
4.66E02 38.894 51.854 64.813 77.772 90.731 97.211
3.74E02 35.984 47.974 59.964 71.953 83.943 89.938
3.13E02 34.27 45.69 57.11 68.53 79.94 85.65
7.00E03 33.353 44.466 55.579 66.692 77.805 83.361
1.54E02 32.94 43.91 54.88 65.86 76.83 82.32
1.99E02 32.245 42.989 53.732 64.476 75.220 80.591
1.04E03 30.423 40.560 50.697 60.834 70.971 76.039
5.57E02 29.924 39.894 49.865 59.835 69.805 74.790
5.01E03 29.816 39.751 49.685 59.620 69.554 74.521
4.72E03 29.406 39.204 49.002 58.800 68.598 73.497
1.06E02 28.977 38.632 48.287 57.942 67.597 72.425
9.49E03 27.901 37.197 46.494 55.790 65.086 69.734
3.59E03 26.820 35.756 44.692 53.628 62.564 67.032
5.66E04 24.82 33.10 41.37 49.64 57.91 62.04
2.82E03 24.742 32.986 41.230 49.474 57.718 61.840
2.72E03 24.478 32.634 40.789 48.945 57.101 61.179
3.98E02 24.33 32.43 40.53 48.64 56.74 60.80
2.46E03 23.693 31.587 39.482 47.376 55.270 59.217
2.44E03 23.306 31.072 38.837 46.602 54.368 58.251
2.27E03 23.038 30.714 38.390 46.066 53.742 57.580
1.01E03 21.688 28.915 36.141 43.367 50.594 54.207
6.43E03 20.199 26.929 33.659 40.389 47.119 50.484
Receptivity
97
201
95
67
25
53
49
47
143
101
89
173
163
39
109
99
105
87
147
183
177
107
157
83
73
161
149
145
57
103
155
167
41
179
187
193
235
191
197
Mo
Hg
Mo
Zn
Mg
Cr
Ti
Ti
Nd
Ru
Y
Yb
Dy
K
Ag
Ru
Pd
Sr
Sm
W
Hf
Ag
Gd
Kr
Ge
Dy
Sm
Nd
Fe
Rh
Gd
Er
K
Hf
Os
Ir
U
Ir
Au
Isotope

5/2
3/2
5/2
5/2
5/2
3/2
7/2
5/2
7/2
5/2
1/2
5/2
5/2
3/2
1/2
5/2
5/2
9/2
7/2
1/2
7/2
1/2
3/2
9/2
9/2
5/2
7/2
7/2
1/2
1/2
3/2
7/2
3/2
9/2
1/2
3/2
7/2
3/2
3/2
Spin

9.56
13.18
15.90
4.102
10.00
9.501
5.41
7.44
12.2
17.06
100.0
16.13
24.896
93.258
48.161
12.76
22.33
7.00
14.99
14.31
18.60
51.839
15.65
11.500
7.76
18.889
13.82
8.3
2.119
100.0
14.80
22.869
6.730
13.62
1.96
62.7
0.7204
37.3
100.0
(%)
Nat.
Abund.
Natural
rel. 13C
1.96E+00
1.16E+00
3.06E+00
6.92E01
1.58E+00
5.07E01
1.20E+00
9.18E01
2.43E+00
1.58E+00
7.00E01
1.28E+00
1.91E+00
2.79E+00
2.90E01
8.46E01
1.49E+00
1.12E+00
1.34E+00
6.31E02
1.53E+00
2.05E01
3.00E01
1.28E+00
6.44E01
5.26E01
6.92E01
3.87E01
4.25E03
1.86E01
1.26E01
6.77E01
3.34E02
4.38E01
1.43E03
1.37E01
6.53E03
6.38E02
1.62E01

Molar
7.04925 9.39798 11.7467 14.0954 16.4442 17.6185 18.7929 19.9673 21.1416 22.3160 23.4904
rel. 1H
3.49E03 19.970 26.623 33.277 39.931 46.585 49.911 53.238 56.565 59.892 63.219 66.546
1.49E03 19.843 26.455 33.067 39.678 46.290 49.595 52.901 56.207 59.513 62.819 66.124
3.27E03 19.559 26.076 32.593 39.110 45.627 48.885 52.144 55.402 58.661 61.919 65.178
2.87E03 18.779 25.035 31.292 37.549 43.806 46.934 50.063 53.191 56.319 59.448 62.576
2.68E03 18.373 24.494 30.616 36.738 42.859 45.920 48.981 52.042 55.103 58.163 61.224
9.08E04 16.965 22.617 28.270 33.922 39.575 42.401 45.227 48.054 50.880 53.706 56.532
3.78E03 16.924 22.563 28.203 33.842 39.481 42.300 45.120 47.939 50.759 53.578 56.398
2.10E03 16.920 22.557 28.195 33.833 39.470 42.289 45.108 47.926 50.745 53.564 56.383
3.39E03 16.35 21.80 27.25 32.69 38.14 40.86 43.59 46.31 49.04 51.76 54.48
1.57E03 15.491 20.652 25.814 30.975 36.136 38.717 41.298 43.878 46.459 49.040 51.620
1.19E04 14.707 19.607 24.507 29.408 34.308 36.758 39.208 41.658 44.108 46.558 49.008
1.35E03 14.61 19.48 24.35 29.22 34.09 36.52 38.96 41.39 43.83 46.26 48.69
1.31E03 14.46 19.28 24.10 28.92 33.74 36.15 38.56 40.97 43.38 45.79 48.20
5.10E04 14.005 18.672 23.338 28.004 32.671 35.004 37.337 39.670 42.003 44.337 46.670
1.02E04 13.967 18.620 23.274 27.927 32.581 34.908 37.234 39.561 41.888 44.215 46.541
1.13E03 13.821 18.427 23.032 27.637 32.242 34.545 36.847 39.150 41.452 43.755 46.057
1.13E03 13.734 18.310 22.886 27.463 32.039 34.327 36.615 38.903 41.191 43.479 45.767
2.72E03 13.007 17.341 21.675 26.009 30.342 32.509 34.676 36.843 39.010 41.177 43.344
1.52E03 12.51 16.68 20.84 25.01 29.18 31.26 33.35 35.43 37.52 39.60 41.68
7.50E05 12.505 16.671 20.837 25.004 29.170 31.253 33.337 35.420 37.503 39.586 41.669
1.40E03 12.18 16.24 20.30 24.36 28.42 30.45 32.48 34.51 36.53 38.56 40.59
6.74E05 12.149 16.197 20.244 24.292 28.340 30.364 32.388 34.412 36.436 38.460 40.483
3.26E04 12.08 16.11 20.13 24.16 28.19 30.20 32.21 34.22 36.24 38.25 40.26
1.90E03 11.548 15.395 19.243 23.091 26.938 28.862 30.786 32.710 34.633 36.557 38.481
1.41E03 10.469 13.958 17.446 20.934 24.423 26.167 27.911 29.655 31.399 33.144 34.888
4.74E04 10.32 13.75 17.19 20.63 24.07 25.78 27.50 29.22 30.94 32.66 34.38
8.52E04 10.31 13.75 17.18 20.62 24.06 25.77 27.49 29.21 30.93 32.64 34.36
7.93E04 10.07 13.43 16.78 20.14 23.49 25.17 26.85 28.53 30.20 31.88 33.56
3.42E05
9.718 12.955 16.193 19.431 22.669 24.288 25.906 27.525 29.144 30.763 32.382
3.17E05
9.563 12.750 15.936 19.123 22.309 23.902 25.496 27.089 28.682 30.275 31.869
1.45E04
9.21 12.28 15.35 18.42 21.49 23.03 24.56 26.10 27.63 29.17 30.70
5.04E04
8.66 11.54 14.42 17.31 20.19 21.63 23.08 24.52 25.96 27.40 28.85
8.44E05
7.687 10.249 12.810 15.371 17.932 19.213 20.494 21.774 23.055 24.336 25.616
5.47E04
7.65 10.20 12.75 15.30 17.85 19.13 20.40 21.68 22.95 24.23 25.50
1.24E05
6.850
9.132 11.415 13.697 15.979 17.120 18.262 19.403 20.544 21.685 22.826
3.73E05
5.86
7.82
9.77 11.73 13.68 14.66 15.63 16.61 17.59 18.56 19.54
1.54E04
5.527
7.368
9.209 11.051 12.892 13.813 14.734 15.654 16.575 17.496 18.416
2.91E05
5.40
7.20
9.00 10.79 12.59 13.49 14.39 15.29 16.19 17.09 17.99
2.76E05
5.31
7.08
8.84 10.61 12.38 13.26 14.15 15.03 15.92 16.80 17.69
Receptivity

NMR Properties of Selected Isotopes

Z = proton number, A = mass number, Half-Life where appropriate in years (y), days (d),
hours (h), minutes (m); I = spin quantum number; NA = natural abundance (IUPAC 2003);
z = z-component of nuclear magnetic moment in units of the nuclear magneton (N);
Q = electric quadrupole moment in units of fm2 = 1030 m2 (1 fm2 = 0.01 barns);
calc. magnetogyric ratio = z/h- l. Note: for z and Q the experimental uncertainty begins
with the last significant digit.

Z
0
1

2
3

4
5

6

7

14 N
15 N
8
9
10
11
12
13
13
14
15
17
19
21
23
25
26
27
29
31
16
17

18
19

20

21
22

23

24
25

26

27

28
29

30
31

32
33
34
33
35
37
39
39
40
41
41
43
45
47
49
50
51
53
53
55
57
59
59
60
61
63
65
67
69
71
73
75
77

A
1
1
2
3
3
6
7
9
10
11
13

Sym
n
H
H (D)
H (T)
He
Li
Li
Be
B
B
C
Isotope
(half-life)

Name
Neutron
Hydrogen
Deuterium
Tritium (12.32 y)
Helium
Lithium
Lithium
Beryllium
Boron
Boron
Carbon
Spin

I
1/2
1/2
1
1/2
1/2
1
3/2
3/2
3
3/2
1/2
Nat. Abund.
2003
(TICE 2001)
NA (%)

099.9885000
00.011500

00.000134
07.590000
092.4100000
1000.000000
19.900000
80.100000
1.07000
Rel. Nucl.
Magn. Mom.
(measured)
z / N
-1.913042700
-2.792847340
-0.857438228
-2.978962440
-2.127497720
-0.822047300
-3.256462500
-1.177490000
-1.800644780
-2.688649000
-0.702412000
Quadrupole
Moment

Q [fm2 ]

-0.286

-0.0808
-4.01

-5.2888 s
-8.4590 s
-4.0590 s

Magnetogyric
Ratio
(calc., free atom)
[107 rad s-1 T-1]
-18.3247183000
-26.7522208000
-4.106629190
-28.5349865000
-20.3789473000
-3.937127000
-10.3977040000
-3.759660000
-2.874679550
0-8.5847070000
-6.728286000
Nitrogen
Nitrogen
1
1/2
99.636000
0.36400
-0.403761000
-0.283188840
-2.0440 s

-1.933779800
-2.712618900
O
F
Ne
Na
Mg
Al
Al
Si
P
Oxygen
Fluorine
Neon
Sodium (Natrium)
Magnesium
Alumin(i)um (7.17E5 y)
Alumin(i)um
Silicon
Phosphorus
5/2
1/2
3/2
3/2
5/2
5
5/2
1/2
1/2
0.03800
1000000000.
0.27000
1000000.000
10.000000

1000000000.
4.68500
1000000000.
-1.893790000
-2.626868000
-0.661797000
-2.217655600
-0.855450000
-2.804000000
-3.641506900
-0.555290000
-1.131600000
-2.558 00

-10.15500 s
-10.4000 s0
-19.9400 s0
-270000. s0
-14.6600 s0

-3.628060000
-25.1623300000
-2.113081000
-7.080851600
-1.638840000
-2.686000000
-6.976278000
-5.319030000
-10.8394000000
S
Cl
Cl
Ar
K
K
K
Ca
Ca
Sc
Ti
Ti
V
V
Cr
Mn
Mn
Fe
Fe
Co
Co
Ni
Cu
Cu
Zn
Ga
Ga
Ge
As
Se
Sulfur
Chlorine
Chlorine
Argon (269 y)
Potassium (Kalium)
Potassium (1.248E9 y)
Potassium
Calcium (1.02E5 y)
Calcium
Scandium
Titanium
Titanium
Vanadium (1.4E17 y)
Vanadium
Chromium
Manganese (3.74E6 y)
Manganese
Iron, Ferrum
Iron (44.507 d)
Cobalt
Cobalt (1925.2 d)
Nickel
Copper, Cuprum
Copper, Cuprum
Zinc
Gallium
Gallium
Germanium
Arsenic
Selenium
3/2
3/2
3/2
7/2
3/2
4
3/2
7/2
7/2
7/2
5/2
7/2
6
7/2
3/2
7/2
5/2
1/2
3/2
7/2
5
3/2
3/2
3/2
5/2
3/2
3/2
9/2
3/2
1/2
0.75000
75.760000
24.240000

93.258000
0.01170
6.73000

0.13500
100000000.0
7.44000
5.41000
0.25000
99.750000
9.50100

10000000.00
2.11900

10000000.00

1.13990
69.150000
30.850000
4.10200
60.108000
39.892000
7.76000
100000000.0
7.63000
-0.643821000
-0.821874300
-0.684123600
-1.590000000
-0.391507300
-1.298100000
-0.214892740
-1.594781000
-1.317643000
-4.756487000
-0.788480000
-1.104170000
-3.345689000
-5.148705700
-0.474540000
-5.024000000
-3.468717900
-0.090623000
-0.335800000
-4.627000000
-3.799000000
-0.750020000
-2.227346000
-2.381600000
-0.875204900
-2.016590000
-2.562270000
-0.879467700
-1.439470000
-0.535074300
-6.7800 s
-8.1650 s
-6.4350 s

-5.8500 s
-7.3000 s
-7.1100 s
-6.700 s0
-4.0800 s
-22.000 s00
-30.2000 s0
-24.7000 s0
-210000. s0
-5.2000 s
-15 0000.0

-33 0000 0

-42 s0000.0
-440000. s0
-16.20000.0
-22.0000 s0
-20.40000 s
-15.0000 s0
-17.1000 s0
-10.7000 s0
-19.60000 s
-31.4000 s0

-2.055685000
-2.624199100
-2.184368800
-2.170000000
-1.250061200
-1.554286000
0-0.6861406200
-2.182306000
-1.803069000
-6.508800000
-1.510540000
-1.510950000
-2.670650000
-7.045513900
-1.515180000
0-6.8750000000
-6.645254530
0-0.8680627000
-1.072200000
-6.332000000
-3.639000000
-2.394770000
-7.111791000
-7.604300000
-1.676688500
-6.438860000
-8.181170000
-0.936030600
-4.596150000
-5.125388000

Theor. NMR freq. o calc. from and scaled to 1H = 100.0 MHz; Molar Receptivity RM(H)
relative to equal number of protons is proportional to 3 I (I+1); Receptivity at nat.
abundance RNA(C) relative to 13C; recommended Reference sample (IUPAC 2001);
experimental reson. freq. of ref. sample on the unified scale
(at B0 where TMS (1H) = 100.0 MHz).
Numbers containing E are in exponential format.

A
1
1
2
3
3
6
7
9
10
11
13

14
15

17
19
21
23
25
26
27
29
31

33
35
37
39
39
40
41
41
43
45
47
49
50
51
53
53
55
57
59
59
60
61
63
65
67
69
71
73
75
77

Sym
n
H
D
T
He
Li
Li
Be
B
B
C

N
N

O
F
Ne
Na
Mg
Al
Al
Si
P

S
Cl
Cl
Ar
K
K
K
Ca
Ca
Sc
Ti
Ti
V
V
Cr
Mn
Mn
Fe
Fe
Co
Co
Ni
Cu
Cu
Zn
Ga
Ga
Ge
As
Se
Theoretical
NMR Freq.
(free atom)
o [MHz]
068.4979
100.0000
015.3506
106.6640
076.1767
014.7170
038.8667
014.0536
010.7456
032.0897
025.1504

007.2285
010.1398

013.5617
094.0570
007.8987
026.4683
006.1260
010.0399
026.0774
019.8826
040.5178

007.6842
009.8093
008.1652
008.1228
004.6727
005.8099
002.5648
008.1575
006.7399
024.3299
005.6464
005.6479
009.9829
026.3362
005.6638
025.6983
024.8400
003.2448
004.0079
023.6676
013.6026
008.9517
026.5839
028.4250
006.2675
024.0685
030.5813
003.4989
017.1804
019.1587
Molar
Receptivity
Receptivity at Nat. Abund.
(rel. 13C)
(rel. 1H)
RM(H)
RNA(C)
3.21E01

1.00E+00
5.87E+03
9.65E03
6.52E03

1.21E+00
4.42E01
3.48E03
8.50E03
3.79E+00
2.94E01
1.59E+03
1.39E02
8.15E+01
1.99E02
2.32E+01
1.65E01
7.77E+02
1.59E02
1.00E+00

1.01E03
5.90E+00
1.04E03
2.23E02

2.91E02
6.50E02
8.32E01
4.89E+03
2.46E03
3.91E02
9.27E02
5.45E+02
2.68E03
1.58E+00
4.05E02

2.07E01
1.22E+03
7.86E03
2.16E+00
6.65E02
3.91E+02

2.27E03
1.00E01
4.72E03
2.10E+01
2.72E03
3.88E+00
1.13E02

5.10E04
2.79E+00
5.23E03
3.59E03
8.44E05
3.34E02
1.14E02

6.43E03
5.10E02
3.02E01
1.78E+03
2.10E03
9.18E01
3.78E03
1.20E+00
5.57E02
8.18E01
3.84E01
2.25E+03
9.08E04
5.07E01
3.56E01

1.79E01
1.05E+03
3.42E05
4.25E03
3.22E04

2.78E01
1.64E+03
1.01E01

3.59E03
2.40E01
9.39E02
3.82E+02
1.15E01
2.08E+02
2.87E03
6.92E01
6.97E02
2.46E+02
1.43E01
3.35E+02
1.41E03
6.44E01
2.54E02
1.49E+02
7.03E03
3.15E+00
Reference Sample

Reference

1% Me4Si in CDCl3
(CD3)4Si neat
TMS-T1
He gas
9.7 m LiCl in D2O
9.7 m LiCl in D2O
0.43 m BeSO4 in D2O
15% BF3.Et2O in CDCl3
15% BF3.Et2O in CDCl3
1% Me4Si in CDCl3
DSS in D2O
MeNO2 + 10% CDCl3
MeNO2 + 10% CDCl3
liquid NH3
D2O
CCl3F
Neon gas, 1.1 MPa
0.1 M NaCl in D2O
11 M MgCl2 in D2O

1.1 m Al(NO3)3 in D2O
1% Me4Si in CDCl3
H3PO4 external
(MeO)3PO internal
(NH4)2SO4 in D2O (sat.)
0.1 M NaCl in D2O
0.1 M NaCl in D2O

0.1 M KCl in D2O
0.1 M KCl in D2O
0.1 M KCl in D2O

0.1 M CaCl2 in D2O
0.06 M Sc(NO3)3 in D2O
TiCl4 neat + 10% C6D12
TiCl4 neat + 10% C6D12
VOCl3 + 5% C6D6
VOCl3 + 5% C6D6
K2CrO4 in D2O (sat.)

0.82 m KMnO4 in D2O
Fe(CO)5 + 20% C6D6

0.56 m K3[Co(CN)6] in D2O

Ni(CO)4 + 5% C6D6
[Cu(CH3CN)4[ClO4] in CH3CN (sat.) + 5% C6D6
[Cu(CH3CN)4[ClO4] in CH3CN (sat.) + 5% C6D6
Zn(NO3)3 in D2O (sat.)
1.1 m Ga(NO3)3 in D2O
1.1 m Ga(NO3)3 in D2O
Me4Ge + 5% C6D6
0.5 M NaAsF6 in CD3CN
Me2Se + 5% C6D6
Measured.
NMR Freq.
(rel. 1H ref.)
[MHz]

100.000000
15.350609
106.663974
076.178976
014.716086
038.863797
014.051813
010.743658
032.083974
025.145020
025.144953
007.226317
010.136767
010.132767
013.556457
094.094011
007.894296
026.451900
006.121635

026.056859
019.867187
040.480742
040.480864
007.676000
009.797909
008.155725

004.666373
005.802018
002.561305

006.730029
024.291747
005.637534
005.639037
009.970309
026.302948
005.652496

024.789218
003.237778

023.727074

008.936051
026.515473
028.403693
006.256803
024.001354
030.496704
003.488315
017.122614
019.071513

Z

35

36
37

38
39
40
41
42

43
44

45
46
47

48

49

50

51

52

53

54

55
56

57
57

58

59
60

61
62

63

64

65
66

67

68

69

70

71
79
79
81
83
85
87
87
89
91
93
95
97
99
99
99
101
103
105
107
109
111
113
113
115
115
117
119
121
123
125
123
125
127
129
129
131
133
135
137
137
138
139
139
141
141
143
145
145
147
149
151
153
155
157
159
161
163
163
165
166
167
169
169
171
171
173
175
10
Sym
Name
Se
Br
Br
Kr
Rb
Rb
Sr
Y
Zr
Nb
Mo
Mo
Mo
Tc
Ru
Ru
Rh
Pd
Ag
Ag
Cd
Cd
In
In
Sn
Sn
Sn
Sb
Sb
Sb
Te
Te
I
I
Xe
Xe
Cs
Ba
Ba
La
La
La
Ce
Ce
Pr
Nd
Nd
Pm
Sm
Sm
Eu
Eu
Gd
Gd
Tb
Dy
Dy
Ho
Ho
Ho
Er
Er
Tm
Tm
Yb
Yb
Lu
Selenium (2.95E5 y)
Bromine
Bromine
Krypton
Rubidium
Rubidium (4.81E10 y)
Strontium
Yttrium
Zirconium
Niobium
Molybdenum
Molybdenum
Molybdenum (65.924 h)
Technetium (2.1E5 y)
Ruthenium
Ruthenium
Rhodium
Palladium
Silver, Argentum
Silver
Cadmium
Cadmium (7.7E15 y)
Indium
Indium (4.41E14 y)
Tin
Tin
Tin (Stannum)
Antimony (Stibium)
Antimony
Antimony (2.7586 y)
Tellurium (9.2E16 y)
Tellurium
Iodine
Iodine (1.57E7 y)
Xenon
Xenon
C(a)esium
Barium
Barium
Lanthanum (6E4 y)
Lanthanum (1.05E11 y)
Lanthanum
Cerium (137.64 d)
Cerium (32.508 d)
Praeseodymium
Neodymium
Neodymium
Promethium (17.7 y)
Samarium (1.06E11 y)
Samarium
Europium
Europium
Gadolinium
Gadolinium
Terbium
Dysprosium
Dysprosium
Holmium (4570 y)
Holmium
Holmium (1200 y)
Erbium
Erbium (9.40 d)
Thulium
Thulium (1.92 y)
Ytterbium
Ytterbium
Lutetium
NA (%)
z / N
7/2

-1.018000000
3/2 50.690000 - 2.106400000
3/2 49.310000 - 2.270562000
9/2
011.500
-0.9706690
5/2
72.17
-1.3533515
3/2
27.83
-2.7518180
9/2
07.00
-1.0936030
1/2
100.000
-0.1374154
5/2
11.22
-1.3036200
9/2
100000.
-6.1705000
5/2
15.90
-0.9142000
5/2
09.56
-0.9335000
1/2

-0.3750000
9/2

-5.6847000
5/2
12.76
-0.6410000
5/2
17.06
-0.7160000
1/2
100000.
-0.0884000
5/2
22.33
-0.6420000
1/2
051.839
-0.1136797
1/2
048.161
-0.1306900
1/2
12.80
-0.5948861
1/2
12.22
-0.6223009
9/2
04.29
-5.5289000
9/2
95.71
-5.5408000
1/2
00.34
-0.9188300
1/2
07.68
-1.0010400
1/2
08.59
-1.0472800
5/2
57.21
-3.3634000
7/2
42.79
-2.5498000
7/2

-2.6300000
1/2
00.89
-0.7369478
1/2
07.07
-0.8885051
5/2
100

-2.8132700
7/2

-2.6210000
1/2
0026.4006
-0.7779760
3/2
0021.2324
-0.6918620
7/2
100000.
-2.5820250
3/2
006.592
-0.8386270
3/2
011.232
-0.9373400
7/2

-2.6950000
5
000.090
-3.7136460
7/2
099.910
-2.7830455
3/2

-1.0600000
7/2

-1.0900000
5/2
100000.
-4.2754000
7/2
12.20
-1.0650000
7/2
8.3
-0.6560000
5/2

-3.8000000
7/2
14.99
-0.8148000
7/2
13.82
-0.6717000
5/2
47.81
-3.4717000
5/2
52.19
-1.5324000
3/2
14.80
-0.2572000
3/2
15.65
-0.3373000
3/2
100000.
-2.0140000
5/2
018.889
-0.4800000
5/2
024.896
-0.6730000
7/2

-4.2300000
7/2
100000.
-4.1320000
7

-3.6000000
7/2
022.869
-0.5639000
1/2

-0.4850000
1/2
100000.
-0.2310000
1/2

-0.2280000
1/2
14.28
-0.4936700
5/2
16.13
-0.6798900
7/2
97.41
-2.2320000
Q [fm2 ]
[107 rad s-1 T-1]
-800000. s0
-30.5000 s0
-25.4000 s0
-25.9 s000.
-27.6 000.s
-13.3500. s
-33.5 000.s

-17.6 000.s
-32 .s000.0
-2.2 00.s
-25.5 000.s

-12.9 000.s
-7.9 00.s
-45.7 000.s

-66 .0000.s

-79.9 s000.
-81 000.

-36 0000.
-49 0000.

-71 0.000.s
-48 s.0000.

-11.4 s000.
-0.343 .s
-16.0 .00
-24.5 000.
-26 0.000.
-45
00.
-20
000.

-5.89 s0.
-63 00.00.
-33 0000.
-21 0.000.s
-25.9 000.s
-7.5 00.s
-90.3 000.
-241 s0.0000.
-127 00000.
-135 0.000.
-143.2

-251 0.0000.s
-265 s.00000.
-360 00000.
-358
00.
-340 s.00000.
-357 00000.

-280 0000.
-349
0000.
-1.393000
-6.725619
-7.249779
-1.033097
-- 2.5927059
-8.786403
-1.163938
-1.316279
-2.497430
-6.567400
-1.751400
-1.788400
-3.590000
-6.050300
-1.228000
-1.372000
-0.846770
-1.230000
-1.088918
-1.251900
-5.698315
-5.960917
-5.884500
-5.897200
-8.801300
-9.588800
-10.0317000
-6.443500
-3.489200
-3.600000
-7.059101
-8.510843
-5.389570
-3.586600
-7.452100
-2.209077
-3.533256
-2.677690
-2.992870
-3.688000
-3.557240
-3.808333
-3.380000
-1.490000
-8.190700
-1.457400
-0.898000
-7.300000
-1.115000
-0.919200
-6.651000
-2.935700
-0.821200
-1.077000
-6.431000
-0.920000
-1.289000
-5.790000
-5.654000
-2.460000
-0.771600
-4.646000
-2.210000
-2.180000
-4.728800
-1.302510
-3.054700

A Sym
79
79
81
83
85
87
87
89
91
93
95
97
99
99
99
101
103
105
107
109
111
113
113
115
115
117
119
121
123
125
123
125
127
129
129
131
133
135
137
137
138
139
139
141
141
143
145
145
147
149
151
153
155
157
159
161
163
163
165
166
167
169
169
171
171
173
175
Se
Br
Br
Kr
Rb
Rb
Sr
Y
Zr
Nb
Mo
Mo
Mo
Tc
Ru
Ru
Rh
Pd
Ag
Ag
Cd
Cd
In
In
Sn
Sn
Sn
Sb
Sb
Sb
Te
Te
I
I
Xe
Xe
Cs
Ba
Ba
La
La
La
Ce
Ce
Pr
Nd
Nd
Pm
Sm
Sm
Eu
Eu
Gd
Gd
Tb
Dy
Dy
Ho
Ho
Ho
Er
Er
Tm
Tm
Yb
Yb
Lu
o [MHz]
05.2072
25.1404
27.0997
03.8617
09.6916
32.8436
04.3508
04.9203
09.3354
24.5488
06.5467
06.6849
13.4272
22.6161
04.5903
05.1274
03.1652
04.5975
04.0704
04.6795
21.3003
22.2820
21.9963
22.0436
32.8994
35.8430
37.4986
24.0858
13.0425
13.4527
26.3870
31.8136
20.1462
13.4067
27.8560
08.2575
13.2073
10.0092
11.1874
13.7852
13.2970
14.2356
12.6514
05.5755
30.6168
05.4476
03.3555
27.2124
04.1678
03.4358
24.8614
10.9737
03.0697
04.0258
24.0376
03.4374
04.8195
21.6369
21.1356
09.2072
02.8842
17.3658
08.2711
08.1637
17.6762
04.8688
11.4185
RM(H)
RNA(C)
Reference
2.97E03
7.94E02
9.95E02
1.90E03
1.06E02
1.77E01
2.72E03
1.19E04
9.49E03
4.88E01
3.27E03
3.49E03
2.42E03
3.82E01
1.13E03
1.57E03
3.17E05
1.13E03
6.74E05
1.02E04
9.66E03
1.11E02
3.51E01
3.53E01
3.56E02
4.60E02
5.27E02
1.63E01
4.66E02
5.11E02
1.84E02
3.22E02
9.54E02
5.06E02
2.16E02
2.82E03
4.84E02
5.01E03
7.00E03
5.50E02
9.40E02
6.06E02
1.01E02
3.64E03
3.35E01
3.39E03
7.93E04
2.35E01
1.52E03
8.52E04
1.79E01
1.54E02
1.45E04
3.26E04
6.94E02
4.74E04
1.31E03
2.13E01
1.98E01
5.83E02
5.04E04
5.24E03
5.66E04
5.44E04
5.52E03
1.35E03
3.13E02

2.37E+02
2.88E+02
1.28E+00
4.50E+01
2.90E+02
1.12E+00
7.00E01
6.26E+00
2.87E+03
3.06E+00
1.96E+00

8.46E01
1.58E+00
1.86E01
1.49E+00
2.05E01
2.90E01
7.27E+00
7.94E+00
8.85E+01
1.99E+03
7.11E01
2.08E+01
2.66E+01
5.48E+02
1.17E+02

9.61E01
1.34E+01
5.60E+02

3.35E+01
3.51E+00
2.84E+02
1.94E+00
4.62E+00

4.97E01
3.56E+02

1.97E+03
2.43E+00
3.87E01

1.34E+00
6.92E01
5.04E+02
4.73E+01
1.26E01
3.00E01
4.08E+02
5.26E01
1.91E+00

1.16E+03

6.77E01

3.32E+00

4.63E+00
1.28E+00
1.79E+02

0.01 M NaBr in D2O
0.01 M NaBr in D2O
Kr gas
0.01 M RbCl in D2O
0.01 M RbCl in D2O
0.5 M SrCl2 in D2O
Y(NO3)3 in H2O/D2O
Zr(C5H5)2Cl2 in CH2Cl2 (sat.) + 5% C6D6
K[NbCl6] in CH3CN / CD3CN (sat.)
2 M Na2MoO4 in D2O
2 M Na2MoO4 in D2O

NH4TcO4 in H2O / D2O
0.3 M K4[Ru(CN)6] in D2O
0.3 M K4[Ru(CN)6] in D2O
Rh(acac)3 in CDCl3 (sat.)
K2PdCl6 in D2O (sat.)
AgNO3 in D2O (sat.)
AgNO3 in D2O (sat.)
Me2Cd neat liq.
Me2Cd neat liq.
0.1 M In(NO3)3 in D2O + 0.5 M DNO3
0.1 M In(NO3)3 in D2O + 0.5 M DNO3
Me4Sn + 5% C6D6
Me4Sn + 5% C6D6
Me4Sn + 5% C6D6
KSbCl6 in CH3CN / CD3CN (sat.)
KSbCl6 in CH3CN / CD3CN (sat.)

Me2Te + 5% C6D6
Me2Te + 5% C6D6
0.01 M KI in D2O

XeOF4 neat liq.
XeOF4 neat liq.
0.1 M CsNO3 in D2O
0.5 M BaCl2 in D2O
0.5 M BaCl2 in D2O

LaCl3 in D2O / H2O
0.01 M LaCl3 in D2O

(+6 keV excited state)

0.171 M Yb(-C5Me5)2 (THF)2 in THF

[MHz]

25.053980
27.006518
03.847600
09.654943
32.720454
04.333822
04.900198
09.296298
24.476170
06.516926
06.653695

22.508326
04.605151
05.161369
03.186447
04.576100
04.047819
04.653533
21.215480
22.193175
21.865755
21.912629
32.718749
35.632259
37.290632
23.930577
12.959217

26.169742
31.549769
20.007486

27.810186
08.243921
13.116142
09.934457
11.112928

13.194300
14.125641

17.499306

11

Z

72

73

74
75

76

77

78
79
80

81

82

83
84
86
87
88
89
90
91
92

93
94

95

96

97

98
99

100

176
177
179
179
180
181
183
185
187
187
189
191
193
195
197
199
201
203
205
205
207
209
209
211
212
225
227
229
231
233
235
238
237
239
241
241
243
243
245
247
247
249
251
252
253
253
257
Sym
Name
Lu
Hf
Hf
Ta
Ta
Ta
W
Re
Re
Os
Os
Ir
Ir
Pt
Au
Hg
Hg
Tl
Tl
Pb
Pb
Bi
Po
Rn
Fr
Ra
Ac
Th
Pa
U
U
U
Np
Pu
Pu
Am
Am
Cm
Cm
Cm
Bk
Bk
Cf
Es
Es
Fm
Fm
Lutetium (3.78E10 y)
Hafnium
Hafnium
Tantalum (1.82 y)
Tantalum (1.2E15 y)
Tantalum
Tungsten (Wolfram)
Rhenium
Rhenium (4.35E10 y)
Osmium
Osmium
Iridium
Iridium
Platinum
Gold, Aurum
Mercury, Hydrargyrum
Mercury
Thallium
Thallium
Lead (1.73E7 y)
Lead (Plumbum)
Bismuth
Polonium (102 y)
Radon (14.6 h)
Francium (19.3 m)
Radium (14.9 d)
Actinium (21.77 y)
Thorium (7.34E3 y)
Protactinium (3.25E4 y)
Uranium (1.592E5 y)
Uranium (7.04E8 y)
Uranium (4.468E9 y)
Neptunium (2.14E6 y)
Plutonium (2.410E4 y)
Plutonium (14.4 y)
Americium (432.7 y)
Americium (7.37E3 y)
Curium (29.1 y)
Curium (8.48E3 y)
Curium (1.56E7 y)
Berkelium (1.4E2 y)
Berkelium (320 d)
Californium (9.0E2 y)
Einsteinium (472 d)
Einsteinium (20.47 d)
Fermium (3.0 d)
Fermium (100.5 d)
NA (%)
z / N
Q [fm2 ]
[107 rad s-1 T-1]
7
7/2
9/2
7/2
9
7/2
1/2
5/2
5/2
1/2
3/2
3/2
3/2
1/2
3/2
1/2
3/2
1/2
1/2
5/2
1/2
9/2
1/2
1/2
5
1/2
3/2
5/2
3/2
5/2
7/2
0
5/2
1/2
5/2
5/2
5/2
5/2
7/2
9/2
(3/2)
7/2
1/2
(5)
7/2
(1/2)
(9/2)
02.59
18.60
13.62

000.012
099.988
14.31
37.40
62.60
01.96
16.15
37.30
62.70
033.832
100000.
16.87
13.18
29.52
70.48

22.10
100000.

100000.

0000.7204
099.274

-3.16900000
-0.79350000
-0.64100000
-2.28900000
-4.82500000
-2.37050000
-0.11778476
-3.18710000
-3.21970000
-0.06465189
-0.65993300
-0.15070000
-0.16370000
-0.60952000
-0.14815800
-0.50588550
-0.56022600
-1.62225790
-1.63821460
-0.71170000
-0.58219000
-4.11030000
-0.68000000
-0.60100000
-4.62000000
-0.73400000
-1.10000000
-0.46000000
-2.01000000
-0.59000000
-0.38000000

-3.14000000
-0.20300000
-0.68000000
-1.58000000
-1.50000000
-0.41000000
-0.5000000v
-0.37000000
no data
-2.0000000v
no data
no data
-4.10000000
no data
no data
-4970.00
-3370.00.
-3790.00
3370.00
4950.00
317 0.

218 0.
207 0.

85.60
81.60
75.10

54.70

38.60

23

-51.6

-10 0

170000
430000
-172000.
366.3
493.6
1390000..
386.6

560000
314000
286000

0-2.168000
0-1.085800
0-0.682000
0-3.132000
0-2.568000
0-3.243800
00-1.1282407
0-6.105700
0-6.168200
0-00.6192897
0-2.107130
0-0.481200
0-0.522700
0-5.838500
0-0.473060
0-4.845793
0-1.788770
-15.539339
-15.692186
0-1.363500
0-5.576700
0-4.374700
0-6.510000
0-5.760000
0-4.430000
0-7.030000
0-3.500000
0-0.880000
0-6.420000
0-1.130000
0-0.520000

0-6.020000
-01.940000
0-1.300000
0-3.030000
0-2.870000
0-0.790000
0-0.680000
0-0.390000
670 0.
-05.610000
0-2.700000
This Table (updated Oct. 2009) was assembled and calculated by W.E. Hull using information
from the following sources:
De Laeter et al. Pure Appl Chem 75 (2003) 683-800. (isotope abundances)
Harris RK, et al. Pure Appl Chem 73 (2001) 1795-1818 and 80 (2008) 59-84. (shift references)
Mills I, et al. Quantities, Units and Symbols in Physical Chemistry (IUPAC recommendations
1993, corrections 1995). Blackwell Scientific (1993, 1995).
Pyykk P. Spectroscopic nuclear quadrupole moments. Mol. Phys. 99 (2001) 1617-1629.
12

A Sym
o [MHz]
[MHz]

RM(H)
RNA(C)
Reference
08.1049
04.0588
02.5502
11.7085
09.5979
12.1254
04.2174
22.8233
23.0568
02.3149
07.8765
01.7986
01.9538
21.8243
01.7683
18.1136
06.6864
58.0862
58.6575
05.0966
20.8458
16.3525
24.3479
21.5193
16.5423
26.2814
13.1288
03.2941
23.9899
04.2251
01.9437

22.4860
07.2686
04.8696
11.3146
10.7417
02.9361
02.5576
01.4720
3.98E02
1.40E03
5.47E04
3.37E02
1.06E01
3.74E02
7.50E05
1.39E01
1.43E01
1.24E05
2.44E03
2.91E05
3.73E05
1.04E02
2.76E05
5.94E03
1.49E03
1.96E01
2.02E01
1.54E03
9.06E03
1.44E01
1.44E02
9.97E03
1.81E01
1.82E02
1.13E02
4.17E04
6.90E02
8.80E04
1.54E04

1.33E01
3.84E04
1.35E03
1.69E02
1.45E02
2.95E04
3.51E04
1.05E04
6.05E+00
1.53E+00
4.38E01
7.48E02
2.20E+02
6.31E02
3.05E+02
5.26E+02
1.43E03
2.32E+00
6.38E02
1.37E01
2.07E+01
1.62E01
5.89E+00
1.16E+00
3.40E+02
8.36E+02

1.18E+01
8.48E+02

4.06E+02

6.53E03

(+77 keV excited state)

KTaCl6 in CH3CN (sat.)
1 M Na2WO4 in D2O
0.1 M KReO4 in D2O
0.1 M KReO4 in D2O
0.98 M OsO4 in CCl4
0.98 M OsO4 in CCl4

1.2 M Na2PtCl6 in D2O

Me2Hg neat liq. (toxic!)
Me2Hg neat liq. (toxic!)
Tl(NO3)3
Tl(NO3)3

Me4Pb + 5% C6D6
Bi(NO3)2 sat. in conc. HNO3 + 50% D2O

UF6 + 10% C6D6

11.989600
04.166387
22.524600
22.751600
02.282331
07.765400

21.496784

17.910822
06.611583
57.123200
57.683838

20.920599
16.069288

01.841400

249 Bk
10.2302
2.25E02
253 Es
20.9719
1.94E01
176
177
179
179
180
181
183
185
187
187
189
191
193
195
197
199
201
203
205
205
207
209
209
211
212
225
227
229
231
233
235
238
237
239
241
241
243
243
245
247
Lu
Hf
Hf
Ta
Ta
Ta
W
Re
Re
Os
Os
Ir
Ir
Pt
Au
Hg
Hg
Tl
Tl
Pb
Pb
Bi
Po
Rn
Fr
Ra
Ac
Th
Pa
U
U
U
Np
Pu
Pu
Am
Am
Cm
Cm
Cm
Stone NJ. Table of Nuclear Magnetic Dipole and Electric Quadrupole Moments (2001)
[http://www.nndc.bnl.gov/nndc/stone_moments/nuclear-moments.pdf].
LBNL Isotopes Project Nuclear Data Dissemination Home Page. Table of Nuclear Moments
[http://ie.lbl.gov/toipdf/mometbl.pdf].
NUDAT 2 half-life data: http://www.nndc.bnl.gov/
13
NMR Tables
Isotopes sorted according to spin and nucleon numbers

1
3
3
13
15
19
29
31
57
77
89
103
107
109
111
113
115
117
119
123
125
129
169
171
183
187
195
199
203
205
207
209
211
225
239
251
2
6
14
7
9
11
21
23
33
35
37
H
H
He
C
N
F
Si
P
Fe
Se
Y
Rh
Ag
Ag
Cd
Cd
Sn
Sn
Sn
Te
Te
Xe
Tm
Yb
W
Os
Pt
Hg
Tl
Tl
Pb
Po
Rn
Ra
Pu
Cf
H
Li
N
Li
Be
B
Ne
Na
S
Cl
Cl
Isotope
Hydrogen
Tritium *
Helium
Carbon
Nitrogen
Fluorine
Silicon
Phosphorus
Iron
Selenium
Yttrium
Rhodium
Silver
Silver
Cadmium
Cadmium
Tin
Tin
Tin
Tellurium
Tellurium
Xenon
Thulium
Ytterbium
Tungsten
Osmium
Platinum
Mercury
Thallium
Thallium
Lead
Polonium *
Radon *
Radium *
Plutonium *
Californium *
Deuterium
Lithium
Nitrogen
Lithium
Beryllium
Boron
Neon
Sodium
Sulfur
Chlorine
Chlorine
Spin
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1/2
1
1
1
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
39
41
53
61
63
65
69
71
75
79
81
87
131
135
137
139
155
157
159
189
191
193
197
201
227
231
17
25
27
47
55
67
85
91
95
97
99
101
105
121
127
141
145
151
153
161
163
K
K
Cr
Ni
Cu
Cu
Ga
Ga
As
Br
Br
Rb
Xe
Ba
Ba
Ce
Gd
Gd
Tb
Os
Ir
Ir
Au
Hg
Ac
Pa
O
Mg
Al
Ti
Mn
Zn
Rb
Zr
Mo
Mo
Ru
Ru
Pd
Sb
I
Pr
Pm
Eu
Eu
Dy
Dy
* Unstable isotope with lifetime suitable for NMR.
14
Isotope
Potassium
Potassium
Chromium
Nickel
Copper
Copper
Gallium
Gallium
Arsenic
Bromine
Bromine
Rubidium
Xenon
Barium
Barium
Cerium *
Gadolinium
Gadolinium
Terbium
Osmium
Iridium
Iridium
Gold
Mercury
Actinium *
Protactinium *
Oxygen
Magnesium
Alumin(i)um
Titanium
Manganese
Zinc
Rubidium
Zirconium
Molybdenum
Molybdenum
Ruthenium
Ruthenium
Palladium
Antimony
Iodine
Praeseodymium
Promethium *
Europium
Europium
Dysprosium
Dysprosium
Spin
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
3/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
5/2
173
185
187
229
237
241
243
10
39
43
45
49
51
59
123
133
139
143
145
147
149
165
167
175
177
181
235
245
249
253
73
83
87
93
99
113
115
179
209
138
212
50
176
Yb
Re
Re
Th
Np
Am
Am
B
Ar
Ca
Sc
Ti
V
Co
Sb
Cs
La
Nd
Nd
Sm
Sm
Ho
Er
Lu
Hf
Ta
U
Cm
Bk
Es
Ge
Kr
Sr
Nb
Tc
In
In
Hf
Bi
La
Fr
V
Lu
Isotope
Ytterbium
Rhenium
Rhenium
Thorium *
Neptunium *
Americium *
Americium *
Boron
Argon *
Calcium
Scandium
Titanium
Vanadium
Cobalt
Antimony
C(a)esium
Lanthanum
Neodymium
Neodymium
Samarium
Samarium
Holmium
Erbium
Lutetium
Hafnium
Tantalum
Uranium *
Curium *
Berkelium *
Einsteinium *
Germanium
Krypton
Strontium
Niobium
Technetium *
Indium
Indium
Hafnium
Bismuth
Lanthanum
Francium *
Vanadium
Lutetium
Spin
5/2
5/2
5/2
5/2
5/2
5/2
5/2
3
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
7/2
9/2
9/2
9/2
9/2
9/2
9/2
9/2
9/2
9/2
5
5
6
7
NMR Tables
Properties of Selected Deuterated Solvents for NMR
MP
BP
RI
Dielec.
Solvent
Formula MWave Density
[C]
[C]
[nD20]
Acetic Acid-d4
C2D4O2
64.08
1.119
15.9
115.5
1.368
6.1
11.65
2.04 (5)
2.2
178.99
20 (7)
20
Acetone-d6
C3D6O
64.12
0.872
93.8
55.5
1.3554
20.7
2.05 (5)
2.2
29.92 (7)
206.68 (13)
19.4
0.9
2.84/
2.81
Acetonitrile-d3
C2D3N
44.07
0.844
46
80.7
1.3406
37.5
1.94 (5)
2.5
1.39 (7)
118.69
21
2.12
[d420]
[]
H shift J(HD)
(Mult.)
[ppm]
[Hz]
C Shift J(CD) H2O/

(Mult.)
HDO
Shift
[ppm]
[Hz] [ppm]
13
11.5
Benzene-d6
C6D6
84.15
0.950
6.8
79.1
1.4986
2.3
7.16
128.39 (3)
24.3
0.4
Chloroform-d1
CDCl3
120.38
1.500
64.1
60.9
1.4445
4.8
7.24
77.23 (3)
32
1.55
1.38
26.43 (5)
19
0.80
78.5
4.81
43.6 (5)
23.5
Cyclohexane-d12
C6D12O
96.24
0.890
78
Deuterium oxide
D2O
20.03
1.107
3.8
101.4
1,2-Dichloroethane-d4
C2D4Cl2
102.99
1.307
35
83
1.443
3.72 (5)
Dichloromethane-d2
CD2Cl2
86.95
1.362
97
39.5
1.362
5.32 (3)
Diethylether-d10
C4D10O
84.19
0.78
116.3
34.6
3.34 (m)
1.07 (m)
Diethylene glycol
dimethyl ether-d14
(diglyme-d14)
C6D14O3
148.26
0.95
68
162
3.49 (br)
3.40 (br)
3.22 (5)
1,2-Dimethoxyethane-d10 C4D10O2
(glyme-d10)
N,N-Dimethylformamide-d7
1.328
1.1
54 (5)
27.2
65.3 (5)
14.5 (7)
21
19
1.5
70.7 (5)
70 (5)
57.7 (7)
21
21
21
3.40 (m)
3.22 (5)
1.6
71.7 (5)
57.8 (7)
21
21
1.52
100.18
0.86
58
83
C3D7NO
80.14
1.04
60
153
1.428
36.7
8.03
2.92 (5)
2.75 (5)
1.9
1.9
163.15 (3)
34.89 (7)
29.76 (7)
29.4
21.0
21.1
3.45
1.9
Dimethyl sulfoxide-d6
C2D6OS
84.17
1.190
20.2
190
1.4758
46.7
2.50 (5)
39.51 (7)
21.0
3.3
1,4-Dioxane-d6
C4D8O2
96.16
1.129
12
99
1.4198
2.2
3.53 (m)
66.66 (5)
21.9
2.4
Ethanol-d6
C2D6O
52.11
0.888
114.5
78
1.358
24.5
5.29
3.56
1.11 (m)
56.96 (5)
17.31 (7)
22
19
Methanol-d4
CD4O
36.07
0.89
99
65
1.3256
32.7
4.87
3.31 (5)

49.15 (7)
21.4
Methyl cyclohexane-d14
C7D14
112.27
0.77
126
101
1.4189
Nitrobenzene-d5
C6D5NO2
128.14
1.253
211
1.5498
148.6
134.8 (3)
129.5 (3)
123.5 (3)
24.5
25
26
1.7
8.11 (br)
7.67 (br)
7.50 (br)
Nitromethane-d3
CD3NO2
64.06
1.19
26
100
1.3795
4.33 (5)
62.8 (7)
22
2-Propanol-d8
C3D8O
68.15
0.786
89.5
82.4
1.3728
5.12
3.89 (br)
1.10 (br)

62.9 (3)
24.2 (7)
21.5
19
Pyridine-d5
C5D5N
84.13
1.02
41
114
1.5079
8.74
7.58
7.22
150.35 (3)
135.91 (3)
123.87 (3)
27.5
24.5
25
5.91 (5)
74.2 (5)
3.58
1.73
67.57 (5)
25.37 (5)
22.2
20.2
7.09 (m)
7.00
6.98 (m)
2.09 (5)
137.86
129.24 (3)
128.33 (3)
125.49 (3)
20.4 (7)
23
24
24
19
12.4
Tetrachloroethane-d2
C2D2Cl4
169.86
1.7
43
146
1.493
Tetrahydrofuran-d8
C4D8O
80.16
0.99
108
64
1.4035
7.6
Toluene-d8
C7D8
100.19
0.94
85
109
1.4932
2.4
2,2,2-Trifluoroacetic
Acid-d1
C2DF3O2
2,2,2-Trifluoroethanol-d3 C2D3F3
115.03
1.50
15
71
1.30
11.50
87.06
1.42
44
77
1.30
5.02
3.88 (4x3)
2.3
126.3 (4)
61.5 (4x5)
4.86
2.42
2.2
4.97
1.5
164.2 (4)
116.6 (4)
2 (9)
5.2
2.42
0.45
11.5
22
This Table summarizes the physical properties of deuterated solvents and the chem. shifts (rel. to TMS) and
deuterium couplings for the solvent signals and the approximate shifts for residual water (last column).
15
NMR Tables
1
H Chemical Shifts in Organic Compounds
C Chemical Shifts in Organic Compounds*
13
* Relative to internal tetramethylsilane.
16
NMR Tables
N Chemical Shifts in Organic Compounds*
15
Ar-NO
S-NO
* Relative to external liquid ammonia at 25C. Data taken from: G. C. Levy and R. L. Lichter: "Nitrogen-15 Nuclear Magnetic Resonance

Spectroscopy", J. Wiley, 1979.
11
B Chemical Shifts*
* Relative to external standard BF3OEt2
17
NMR Tables
O Chemical Shifts*
17
* Relative to external standard H2O
Si Chemical Shifts*
29
Ar-NO
* Relative to Si(CH3)4.
18
S-NO
NMR Tables
Al Chemical Shifts*
27
alkyls, hydrides, and their adducts

halides and AIX4
O
halide adducts with

O- or P-donor ligands
alkoxides and their adducts

tetrahedral AIO4 co-ordination
octahedral AIO6 in hydrates,
hydroxides, aluminates, zeolites
200
150
100
50
ppm
* Relative to Al(H2O) .
3+
6
MRI Tables
Abbreviations and Acronyms Used in Magnetic Resonance Imaging
Method
SINGLEPULSE
NSPECT
CSI
PRESS
STEAM
ISIS
DtiEpi
DtiStandard
EPI
FAIR_EPI
FC2D_ANGIO
FL2D_ANGIO
FISP
FLASH
GEFC
MDEFT
MGE
MSME
RARE
RAREVTR
RAREst
FLOW_MAP
UTE
FieldMap
SPIRAL
IntraGate-FLASH
Description
Basic pulse-and-acquire spectroscopy
Non-localized spectroscopy with NOE and decoupling options
Chemical shift imaging with optional PRESS localization
Localized MRS with double spin echo
Localized MRS with stimulated echo (for short TE)
Localized MRS with inversion-based voxel definition
Diffusion tensor imaging with EPI (SE and STE)
Diffusion tensor imaging with 2DFT (SE and STE)
Echo-Planar Imaging (GE and SE), single-shot or interleaved,
with navigator-based phase stabilization and automatic ghost correction
Pulsed arterial spin labelling-based perfusion imaging with EPI
Time-of-flight angiography flow-compensated
Time-of-flight angiography w/o flow-comp. (short TE)
Fast gradient echo with steady state signal selection (FID, echo or fully
balanced), and optional inversion recovery for T1 mapping.
Gradient echo
Gradient echo with flow compensation
T1-weghted hi-res imaging with inversion-recovery preparation
Multiple gradient echo
Multiple spin echo including T2 mapping
Fast spin echo based on CPMG sequence
RARE with variable TR for simultaneous T1&T2 mapping
Fast spin echo for short TE using slew-rate-optimized gradients
Quantitative flow mapping and PC-angio
Ultra-short TE radial scan
Quantitative B0 mapping, part of the MAPSHIM tool for localized
high-order shimming
Fast MRI with spiral k-space scan
Cardiac and respiration-cine with retrospective (trigger-free) gating
Equivalent acronyms
FID
FID
OSIRIS
PGSE-EPI
PGSE
TOF-angio
FLASH, FAST, FISP, PSIF, CE-FAST,
SSFP, GRASS, TrueFISP
FISP, GRASS, FAST
MPRAGE
FSE, TSE
HASTE
19
NMR Tables
Additivity Parameters for 13C Chemical Shifts in Substituted Benzenes
dj = 128.5 + Si(dj),
Substituent
H
CH3
CH2CH3
CH(CH3)2
C(CH3)3
Cyclopropyl
CH2Cl
CH2Br
CF3
CH2OH
CH=CH2
CCH
C6H5
F
Cl
Br
Si(d1) refers to the carbon atom bearing the substituent
Si(dl)
10.0
19.3
15.7
20.1
22.1
15.1
19.1
19.2
12.6
13.0
17.6
6.1
13.0
35.1
16.4
5.4
Si(d)
110.0
110.6
10.6
12.0
13.4
13.3
110.0
110.1
12.2
11.4
11.8
113.8
11.1
14.3
110.2
13.3
Si(dm)
10.0
10.0
0.1
10.0
0.4
0.6
10.2
10.4
10.3
10.0
1.8
10.4
10.5
10.9
11.0
12.2
Si(dp)
0.0
3.1
2.8
2.5
3.1
3.6
0.2
0.3
3.2
1.2
3.5
0.2
1.0
4.4
2.0
1.0
Substituent
I
OH
OCH3
NH2
N(CH3)2
N(C6H5)2
NO2
CN
NCO
SC(CH3)3
COH
COCH3
COOH
COO
COOCH3
COCl
Si(dl)
32.3
126.9
130.2
119.2
122.4
119.3
119.6
16.0
115.7
114.5
119.0
119.3
112.4
117.6
112.1
114.6
Si(d)
119.9
12.7
14.7
12.4
15.7
14.4
15.3
113.5
13.6
119.0
111.2
110.2
111.6
110.8
111.2
112.9
Si(dm)
12.6
11.4
10.9
11.3
10.8
10.6
10.8
10.7
11.2
0.3
11.2
10.2
0.1
10.0
10.0
10.6
Si(dp)
10.4
17.3
18.1
19.5
11.8
15.9
116.0
114.3
12.8
110.0
116.0
114.2
114.8
112.8
114.4
117.0
Some Representative 19F Chemical Shifts Referenced to CFCI3

d / ppm
d / ppm
d / ppm
MeF
EtF
CF2H2
CF3R
AsF5
BF3
IF7
SeF6
[SiF6]2-
XeF2
-271.9
-213
-1436
-60 to -70
-66
-131
170
55
-127
258
CFBr3
CF2Br2
CFH2Ph
CF2Cl2
[AsF6]
CIF3
MoF6
[SbF6]
TeF6
XeF4
7.4
7
-207
-8
-69.5
116; -4
-278
-109
-57
438
FCH=CH2
F2C=CH2
F2C=CF2
C 6 F6
[BeF4]
CIF5
ReF7
SbF5
WF6
XeF6
-114
-81.3
-135
-163
-163
247; 412
345
-108
166
550
Some Representative 31P Chemical Shifts Referenced to 85 % H3PO4

(a) Phosphorus (III) compounds
(b) Phosphorus (V) compounds
d / ppm
d / ppm
d / ppm
d / ppm
PMe3
PEt3
P(n-Pr)3
P(i-Pr)3
P(n-Bu)3
P(i-Bu)3
P(s-Bu)3
P(t-Bu)3
-62
-20
-33
-19.4
-32.5
-45.3
7.9
63
PMeF2
PMeH2
PMeCl2
PMeBr2
PMe2F
PMe2H
PMe2Cl
PMe2Br
245
-163.5
192
184
186
-99
96.5
90.5
Me3PO
Et3PO
[ME4P]+
[PO4]3
PF5
PCl5
MePF4
Me3PF2
36.2
48.3
24.4
6.0
-80.3
-80
-29.9
-158
Me3PS
Et3PS
[Et4P]+
[PS4]3
[PF6]
[PCl4]+
[PCl6]
Me2PF3
59.1
54.5
40.1
87
-145
86
-295
8.0
20
NMR Tables
Some Important Silylated Compounds Used as 1H Shift References

Name

Chemical formula

Abbre-
viation
Mole-
cular
weigth
Boiling or
melting
point (C)
d 1H ppm
rel. TMS
Tetramethylsilane
(CH3)4Si
TMS
88.2
BP = 26.3
Hexamethyldisilane
(CH3)3SiSi(CH3)3
HMDS
146.4
BP = 112.3
0.037
Hexamethyldisiloxane
(CH3)3SiOSi(CH3)3
HMDSO
162.4
BP = 100
0.055
Hexamethyldisilazane
(CH3)3SiNHSi(CH3)3
HMDSA
161.4
BP = 125
0.042
3-(trimethylsilyl)propane sulfonic
acid soduim salt

4,4-dimethyl-4-silapentane sodium
sulfonate

(CH3)3Si(CH2)3SO3Na
TSPSA

218.3
MP = 200
0.015
DSS

(CH3)3Si(CH2)2COONa
TSP

168.2
MP > 300
0.000
3-(trimethylsilyl)propionic acid
sodium salt

4,4-dimethyl-4-silapentane sodium
carboxylate
DSC
3-(trimethylsilyl) 2,2,3,3-tetradeuteropropionic acid sodium salt
(CH3)3Si(CD2)2COONa
TSP-d4
172.2
MP > 300
0.000
Octamethylcyclotetrasiloxane

(CH3)2Si[OSi(CH3)2]3O

OCTS

296.8

BP = 175
MP = 16.8
0.085
1,1,3,3,5,5-hexakis-(trideutero-
methyl)-1,3,5-trisilacyclohexane

(CD3)2SiCH2Si(CD3)2

CH2Si(CD3)2CH2
CS-d18
216.6
BP = 208
-0.327
Tetrakis-(trimethylsilyl)-methane
[(CH3)3Si]4C
TTSM
304.8
MP = 307
0.236
Enhancement Factors NOE and INEPT for X {1H} Nuclear Overhauser and
INEPT Experiments

NOE *
0.53
1.24
1.56
1.99
4.93
2.52
15.41
15.80
10.68
1.33
11.86
INEPTb
1.06
2.47
3.12
3.98
9.86
5.03
30.82
31.59
21.37
2.67
23.71
19
31
11
13
15
29
Si
57
Fe
Rh
103
109
Ag
Sn
119
183
The maximum possible intensity enhancement is equal to 1 + NOE in the extreme narrowing limit.
b
For 19F or 31P as polarization source (irradiated nucleus) the factors NOE and INEPT are reduced by the factor
0.941 [(19F)/(1H)] and 0.405 [(31P)/(1H)]
a
Relevant Properties of Cryogenic Fluids

(Liquid helium and nitrogen are used in supercon magnets)
Cryogen

Liquid
Helium
Normal Latent Amount of Liquid

Boiling Heat
Liquid
Density
Point

Evaporated

by 1 Watt

(K)
(J/g)
(l/hour)
(g/ml)
Gas
Density
at NTP

(g/ml)
Liquid
Enthalpy
Enthalpy
to NTP
Change (gas) Change (gas)
Gas Volume B.P. to 77 K 77 to 300 K
Ratio

(J/mole)
(J/mole)
4.2
20.9
1.038
0.125
1.79 x 104
1 : 700
384
1157
Liquid
Hydrogen
20.39
443
0.115
0.071
8.99 x 105
1 : 790
590
2900
Liquid
Nitrogen
77.55
198
0.023
0.808
1.25 x 103
1 : 650
1234
Liquid
Oxygen
90.19

212.5

0.015

1.014

1.43 x 103

1 : 797

From BP:
1193
NTP = normal room temperature and atmospheric pressure
21
NMR Tables
1
H, 1H Coupling Constants in Selected Organic Molecules

H
X
C C
X
H
Jcis
11.6
Jtrans
19.1
2.5
H3C-CH2-X
Li
8.90
8.0
Li
19.3
23.9
7.1
Si(C2H5)3
COOH
10.2
17.2
1.7
7.5
CN
11.75
17.92
0.91
C6H5
7.62
C6H5
11.48
18.59
1.08
CN
7.60
CH3
10.02
16.81
2.08
7.45
OCH3
7.0
14.1
-2.0
Br
7.33
Cl
1.3
14.6
-1.4
CH3
7.26
Br
7.1
15.2
-1.8
Cl
7.23
4.65
12.75
-3.2
N(C2H5)2
7.13
OC2H5
6.97
H1
J(1,2)
J(1,3)
J(2,4)
O(C2H5)2
J(3,5)
J(2,5)
4.7
J(2,3)
8.97
5.58
8.97
8.97
5.58
-4.34
Cl
7.01
3.58
10.26
10.58
7.14
-6.01
Br
7.13
3.80
10.16
10.45
7.01
-6.12
7.51
4.37
9.89
9.97
6.63
-5.94
NH2
6.63
3.55
9.65
9.89
6.18
-4.29
CN
8.43
5.12
9.18
9.49
7.08
-4.72
COOH
8.04
4.57
9.26
9.66
7.14
-4.00
COCl
7.88
4.43
9.19
9.99
7.59
-4.46
COCH3
7.96
4.55
8.76
9.60
6.94
-3.41
H2
H3
H5
2 1
H4
3
4 5
J(1,2)
J(1,3)
J(1,4)
J(1,5)
J(2,3)
J(2,4)
7.54
1.37
0.66
1.37
7.54
Li
6.73
1.54
0.77
0.74
1.42
1.37
1.29
CH3
7.64
1.25
0.60
1.87
7.52
1.51a
COOCH3
7.86
1.35
0.63
1.79
7.49
1.31
7.93
1.14
0.47
1.88
7.47
1.75
Br
8.05
1.12
0.46
2.1
7.44
1.78
Cl
8.05
1.13
0.48
2.27
7.51
1.72
NH2
8.02
1.11
0.47
2.53
7.39
1.60
a 4J(1, CH ) -0.75
3
5J(2, CH3) 0.36
6
J(3, CH3) -0.62
N(CH3)2
8.40
1.01
0.43
2.76
7.29
1.76
N(CH3)3
8.55
0.92
0.48
3.05
7.46
1.69
NO2
8.36
1.18
0.55
2.40
7.47
1.48
b 3J(1, F) 8.91
4J(2, F) 5.69
5
J(3, F) 0.22
OH
8.17
1.09
0.49
2.71
7.40
1.74
OCH3
8.30
1.03
0.44
2.94
7.36
1.76
8.36
1.07
0.43
2.74
7.47
1.82b
Substituent Effect S(i,j) for JHH in Monosubstituted Benzenes

pos. i,j
1,2
1,3
1,4
1,5
2,3
2,4
22
F
+0.81
0.34
0.24
+1.21
0.04
+0.39
Cl
+0.61
0.23
0.16
+0.87
+0.03
+0.34
Br
+0.53
0.27
0.20
0.71
0.05
+0.36
I
+0.39
0.25
0.19
+0.51
0.04
+0.37
NO2
+0.77
0.20
0.16
+1.02
0.07
+0.08
OCH3
+0.79
0.32
0.22
+1.33
0.16
+0.38
NMR Tables
Typical Stray Field Data for NMR Magnet Systems
Magnet
System
1
H MHz/mm Bore
Axial Distance (m) from

Magnet Center to
5 Gauss (0.5 mT) Line
Radial Distance (m) from

Magnet Center to
5 Gauss (0.5 mT) Line
200 MHz/154 mm US PLUS LH
1.80
0.90
300 MHz/54 mm US LH
0.90
0.60
300 MHz/54 mm Fourier US LH
0.90
0.60
300 MHz/54 mm Ascend ULH
0.90
0.60
300 MHz/89 mm Ascend
1.10
0.55
2.00
1.00
1.00
0.50
1.00
0.50
400 MHz/54 mm Ascend RS
1.00
0.50
1.20
0.60
400 MHz/89 mm Ascend DNP
1.50
1.10
2.55
1.50
1.20
0.60
1.20
0.60
500 MHz/54 mm Ascend RS
1.20
0.60
1.20
0.60
2.55
1.50
1.40
0.70
1.40
0.70
2.00
1.00
600 MHz/89 mm Ascend DNP
2.00
1.00
1.60
0.80
2.00
1.00
2.80
1.40
2.50
1.50
2.70
1.60
850 MHz/89 mm US2 WB
4.60
3.30
900 MHz/54 mm US2
4.60
3.30
900 MHz/89 mm US2 WB
4.60
3.30
950 MHz/54 mm US2
4.60
3.30
1000 MHz/54 mm UltraStabilized
15.00
12.00
LH = Long Hold, ULH = Ultra Long Hold
23
NMR Tables
Abbreviations and Acronyms Used in Magnetic Resonance
2D
Two-Dimensional
3D
Three-Dimensional
ACCORDION 2D technique, simultaneous incrementing of

evolution and mixing times
ADA
Alternated Delay
Acquisition
ADC
Analog-to-Digital Converter, Apparent Diffusion
Constant
ADEQUATE Astonishingly Sensitive
DoublE QUAntum Transfer
Experiment
ADLF
Adiabatic Demagnetization
in the Laboratory Frame
BLEW-n
Burum-Linder-Ernst Windowless homonuc. dipolar

dec. sequence of n pulses
CONOESY
Combined COSY/NOESY
CORMA
BMS
Bulk Magnetic
Susceptibility
COmplete Relaxation
Matrix Analysis
CORY-n
BOLD
Blood Oxygenation LevelDependent contrast (MRI)
CORY modification of
BR-n
COSS
BOSS
BimOdal Slice-Selective
COrrelation with Shift

Scaling
BP
BiPhasic
COSY
COrrelated SpectroscopY
BPP
Bloembergen/Purcell/
Pound (theory)
COSY-45
COSY with 45 mixing

pulse
BR-n
Burum-Rhim homonuclear
dipolar decoupling
sequence of n pulses
BSP
Bloch-Siegert Phase
BURP
Band-selective Uniform
Response Pure-phase
pulse
ADRF
Adiabatic Demagnetization
in the Rotating Frame
A.E.COSY
Alternative Exclusive
COSY
bTFE
balanced Turbo Field Echo
AFP
Adiabtic Fast Passage
BW
BandWidth
AHT
Average Hamiltonian
Theory
BWR
Bloch-Wangsness-Redfield
theory
AJCP
Adiabatic J Cross
Polarization
CA
Contrast Agent
AMCP
Amplitude-Modulated
Cross Polarization
ANGIO
MR ANGIOgraphy
APHH-CP
Adiabatic-Passage
Hartmann-Hahn Cross
Polarization
APT
Attached Proton Test
AQ
AcQuisition
ARP
Adiabatic Rapid Passage
ASIS
Aromatic Solvent-Induced
Shift
ASL
ASTM
Arterial Spin Labeling

American Society for
Testing and Materials
CAMELSPIN Cross-relaxation Appropriate for Minimolecules

Emulated by Locked SPINs
CBCA(CO)
Cb (i-1) and Ca (i-1), N(i),
NH
HN(i) 3D correl.
CBCANH
Cb (i,i-1) and Ca (i,i-1), N(i),
HN(i) 3D correl.
CCPPA
Coupled Cluster
Polarization Propagator
Approximation
CE
Contrast-Enhanced
CEST
CH-COSY
Chemical Exchange
Saturation Transfer
Carbon-Hydrogen
COrrelation SpectroscopY
COSYDEC
COSY with F1 DECoupling
COSYLR
COSY for Long-Range

couplings
CP
Cross Polarization, Circular

Polarization
CPD
Composite-Pulse
Decoupling
CPMAS
Cross Polarization MagicAngle Spinning
CPMG
Carr-Purcell-Meiboom-Gill
Sequence
CRAMPS
Combined Rotation And

Multiple Pulse
Spectroscopy
CRAZED
Correlated Spectroscopy
Revamped by Asymmetric
Z-gradient Echo Detection
CRINEPT
Cross-correlated Relaxationenhanced INEPT
CS
Contiguous Slice
CSA
Chemical Shift Anisotropy
CSCM
Chemical Shift Correlation

Map
CSI
Chemical Shift Imaging
CT
Constant Time
CW
Continuous Wave
CYCLCROP
CYCLic CROss Polarization

CYCLically Ordered Phase
Sequence
CYCLic POlarization
Transfer
CHESS
CHEmical Shift Selective

Imaging Sequence
CYCLOPS
CHIRP
CYCLPOT
BroadBand,
as in decoupling
rf pulse with linear freq.

modulation
CIDEP
BDR
Broadband Dipolar
Recoupling
Chemically Induced Dynamic Electron Polarization
CIDNP
bEPI
Chemically Induced Dynamic Nuclear Polarization
blipped EPI
CINE
bFFE
movie-like MRI
balanced Fast-Field Echo
CISS
BIRD
BIlinear Rotation
Decoupling
BASE
BB
BAsis imaging with

SElective-inversion
preparation
DAC
Digital-to-Analog Converter
DAISY
Direct Assignment Interconnection SpectroscopY
DANTE
Constructive Interference
Steady State
Delay Alternating with

Nutation for Tailored
Excitation
DAS
Dynamic Angle Spinning
CNR
NMR in Presence of an
Electric Direct Current
Contrast-to-Noise Ratio
DCNMR
BIRD/2
half BIRD, bilinear /2

pulse
COLOC
COrrelated Spectroscopy
via LOng-Range Coupling
DD
Dipole-Dipole
BLEW
A windowless multiplepulse decoupling sequence
COLOC-S
COLOC with Suppression

of one-bond correlations
DE
Dual Echo,
Driven Equilibrium
24
NMR Tables
DECSY
Double-quantum Echo
Correlated SpectroscopY
DRAMA
DEFT
Driven Equilibrium Fourier

Transform
DREAM
DEPT
Distortionless Enhancement by Polarization

Transfer
DEPTH
spin-echo sequence for

spatial localization
DEPTQ
DEPT including quaternary

carbons
DFT
Discrete Fourier
Transformation
DICE
DIrect Connectivity
Experiment
DICOM
Digital Imaging and COmmunications in Medicine
DRESS
Dipolar Recovery At the

Magic Angle
Double-quantum Relay
Enhancement by Adiabatic
Mixing
Depth RESolved
Spectrosocpy
Fourier-Acquired STeady
State
FAST B0 Field MAPping for
shimming
FATE
FAst Turbo Echo
Data-Shift Acquisition
FC
Flow Compensation
DSC
Dynamic Susceptibility
Contrast
FC2D_ANGIO Flow-Compensated timeof-flight 2D ANGIOgraphy

FE
Field Echo, Frequency
Encoding
FFE
Fast Field Echo
Double Tilted Rotating

Coordinate Frame
DTSE
Double Turbo Spin Echo
DIPSI
Composite-pulse
Decoupling In the Presence
of Scalar Interactions
DUMBO
DISCO
DIfferences and Sums

within COSY
Decoupling Using MindBoggling Optimization

a numerically optimized
phase-modulated homonuc.
dipolar dec. sequence
DLB
Differential Line
Broadening
DWI
Diffusion-Weighted
Imaging
DNMR
Dynamic NMR
E-BURP
Excitation BURP pulse
D.NOESY
Direct cross-relaxation
NOESY
EC
Eddy Currents
E.COSY
Exclusive COrrelation
SpectroscopY
Dipolar Order Polarization

Transfer
Fast Advanced Spin Echo
FAST
DSA
Discreet Isolation from

Gradient-Governed
Elimination of Resonances
DOPT
FASE
FASTMAP
Diffusion Tensor Imaging
Double COnstant-Time
sequence
Flow-sensitive Alternating
Inversion Recovery
Diffusion-Reduced water
signals in spectroscopY of
moleCules moving sLowEr
thAN water
DTRCF
DOC
FAIR
DRYCLEAN
Dual Spin Echo
Dynamic Nuclear
Polarization
FASE Acq. with Double

Echo
DRIVen Equilibrium
DSE
DNP
Flip Angle
FADE
DRIVE
DTI
DIGGER
FA
ECO-WURST WURST decoupling with

Elimination of Cycling
Oscillations
EFG
Electric Field Gradient
EM
Exponential Multiplication
FFLG
Flip-Flop Lee-Goldburg
decoupling
FFT
Fast Fourier Transform
FGRE
Fast Gradient-Recalled
Echo
FID
Free Induction Decay
FIDS
FItting of Doublets and

Singlets
FieldMap
B0 Field Mapping for

localized shimming
FIRFT
Fast Inversion-Recovery
Fourier Transform
FISP
Fast Imaging with Steadystate Precession
FL2D_ANGIO FLow-sensitive
2D ANGIOgraphy
FLAIR
FLuid Attenuation
Inversion-Recovery
DOR
Double-Orientation
Rotation
EMF
ElectroMagnetic Field
ElectroMotive Force
FLASH
DOSY
Diffusion-Ordered
SpectroscopY
Fast Low-Angle SHot

imaging
ENDOR
Electron-Nuclear DOuble
Resonance
FLOCK
DOUBTFUL
DOUBle Quantum
Transition for Finding
Unresolved Lines
Long-range HETCOR using

3 BIRD pulses
FLOPSY
DPFGSE
Double Pulsed Field

Gradient Spin Echo
DQ
Double Quantum
DQC
Double Quantum
Coherence
DQF
Double Quantum Filter
DQF-COSY
Double Quantum Filtered

COSY
DQSY
Double-Quantum COSY
DQ/ZQ
Double Quantum/Zero
Quantum Spectroscopy
ENMR
Electrophoretic NMR
EPI
Echo-Planar Imaging
EPR
Electron Paramagnetic
Resonance
EPS
Echo-Planar Spectroscopy
ES, ESP
Echo Spacing
E-SHORT
Enhanced SHORT
repetition MRI
ESR
Electron Spin Resonace
E.TACSY
Exclusive TACSY
Flip-FlOP SpectroscopY
FLOW_MAP Quantitative
FLOW MAPping and
PC-angiography
FMP
Fast MultiPlanar
fMRI
functional MRI
FOCSY
FOldover-Corrected
SpectrospcopY
FONAR
Field-focusing MRI
FOV
Field Of View
FPT
Finite Perturbation Theory
EXORCYCLE 4-step phase cycle for spin

echoes
FR
Frequency Encoding
EXSY
FS
Fat Saturation, Fast Scan
EXchange SpectroscopY
25
NMR Tables
FSE
Fast Spin Echo
HCANNH
Frequency-Switched LeeGoldburg a homonuc.

dipolar dec. scheme
Ha(i ), Ca(i ), N(i ), HN(i )

3D correl.
HORROR
FSLG
double-quantum HOmonucleaR ROtary Resonance
(H)CC(CO)
NH
Ca,b,...(i ), N(i +1), HN(i +1)

3D correl.
HQQC
Heteronuclear QuadrupleQuantum Correlation
FSPGR
Fast SPoiled GRadient

Echo
HR
High Resolution
HRPA
Higher Random Phase

Approximation
HS
HomoSpoil
HSL
Heteronuclear Spin Lock
HSQC
Heteronuclear SingleQuantum Coherence
HTQC
Heteronuclear TripleQuantum Correlation
I-BURP
Inversion BURP pulse
ICE
Indirect Connectivity
Experiment
IDESS
Improved DEpth Selective

single surface coil
Spectroscopy
FWHM
Full (line) Width at Half

Maximum
GARP
Globaly Optimized Alternating Phase Rectangular

Pulses
GE
Gradient Echo
GEFC
Gradient Echo with Flow

Compensation
gem-COSY
geminal-filtered COSY
GES
Gradient-Echo
Spectroscopy
HCCH-COSY Ha(i ), Ca(i ), Hb(i )

3D correl.
HCCHtotal correlation of sideTOCSY
chain H and C
HDQC
Heteronuclear DoubleQuantum Correlation
HEED
Hahn spin-Echo ExtendeD
sequence
HET2DJ
HETeronuclear
2D J-correlated
HETCOR
HETeronuclear CORrelation
Spectroscopy
HETLOC
HETeronuclear LOng-range
Couplings
HEHAHA
HEteronuclear HArtmann
HAhn
GFE
Gradient Field Echo
HMBC
IDR
Inverted Direct Response
GRASE
GRAdient and Spin Echo
Heteronuclear MultipleBond Correlation
IEPI
Interleaved EPI
GRASP
GRadient-Accelerated
SPectroscopy
HMQ
Heteronuclear MultipleQuantum
IFT
Inverse FT
IGLO
HMQC
Heteronuclear MultipleQuantum Coherence
Individual Gauge for

different Localized Orbitals
HMSC
Heteronuclear Multiple-
and Single-bond
Correlation
INADE-
QUATE
Incredible Natural Abudance DoublE QUAnatum

Transfer Experiment
INAPT
HNCA
HN(i ), N(i ), Ca(i ) and

Ca(i -1) 3D shift correlation
INEPT with selective 1H

excitation
INDOR
HNCA-J
3D HNCA to measure
3
J (HN,Ha)
INternuclear DOuble
Resonance
INEPT
Insensitive Nuclei
Enhanced by Polarization
Transfer
INEPT+
INEPT with refocusing period for in-phase multiplets
INEPT-R
INEPT Refocused for 1Hdec. spectra
INSIPID
INadequate Sensitivity
Improvement by Proton
Indirect Detection
IntraGateFLASH
Cardiac and respiration

cine MRI with retrospective (trigger-free) gating
INVERSE
H, X correlation via 1H
detection
IPAP
In-Phase Anti-Phase
(in 2D)
IR
Inversion-Recovery
IRMA
Iterative Relaxation Matrix

Analysis
ISECR
In-phaSE CRoss peaks

(method)
FT
Fourier Transform
FUCOUP
FUlly COUPled
Spectroscopy
GRASS
Gradient-Recalled Acquisition in the Steady State
GRE
Gradient-Recalled Echo
GRECCO
GRadient-Enhanced
Carbon COupling
GROESY
GROPE
Gradient-Enhanced
Selective 1D ROESY
Generalized compensation
for Resonance Offset and
Pulse length Errors
GS
Gradient Spectroscopy
gs- ...
gradient-selected ... (e.g.

gs-COSY)
H,X-COSY
H,X shift correlation

(X-detected)
HASTE
Half-Fourier Acquisition
Single-shot Turbo spin
Echo
HBHA
(CBCA CO)
NH
HCACO
Hb(i -1) and Ha(i -1), N(i ),

HN(i ) 3D correl.
Ha(i ), Ca(i ), C'O(i )
3D correl.
HCACON
Ha(i ), Ca(i ), C'O(i ), N(i +1)

4D correl.
HCA(CO)N
Ha(i ), Ca(i ), N(i +1)

3D correl.
HCA(CO)
NNH
Ha(i ), Ca(i ), N(i +1),

HN(i +1) 4D correl.
26
HN(CA)NNH HN(i ), N(i ), N(i +1) and

N(i -1) 3D correl.
HN(CA)CO HN(i ), N(i ), C'O(i ), and
C'O(i -1) 3D shift correlation
H(N)CACO HN(i ), Ca(i ), C'O(i )
3D shift correlation
HNCAHA
HN(i ), N(i ), Ca(i ), Ha(i )
HNCO
HN(i ), N(i ), C'O(i -1)
HN(CO)CA HN(i ), N(i ), Ca(i -1)
H(N)COCA HN(i +1), C'O(i ), Ca(i )
HN(CO)
HN(i +1), N(i +1), Ca(i ),
CAHA
Ha(i ) 4D shift correlation
HOESY
Heteronuclear Overhauser
Effect SpectroscopY
HOHAHA
HOmonuclear HArtmannHAhn Spectroscopy
NMR Tables
ISIS
IST
IVIM
Image-Selected In-vivo
Spectroscopy (single-voxel)
Irreducible Spherical
Tensor
IntraVoxel Incoherent
Motion
MGE
Multiple Gradient Echo
MINIP
MINinmum Intensity
Projection
MSOFT
MultiSlice Off-resonance
FaT Suppression
MSP
Multiple Sensitive Point

Multiple-Stepped PGSE
MIP
Maximum Intensity
Projection
MSPGSE
MT
MLEV
Magnetization Transfer
M. Levitts CPD sequence
MTC
MLM
Maximum Likelihood
Method
Magnetization Transfer
Contrast
JCP
J Cross-Polarization
J-mod
J modulation
JR
Jump-and-Return
sequence (90y - -90-y)
MTSA
MOTSA
Multiple Overlapping Thin

Slab(Slice) Acquisition
Multiple Thin-Slab
Acquisition
J-res
J-resolved 2D
MUSIC
MP
MUltiplicity-Selective Inphase Coherence transfer
LAS
Laboratory Axis System
Multiple Pulse, MultiPlanar,

Magnetization-Prepared
MVS
LASE
Low-Angle SE
MPFn
Multiple Volume
Spectroscopy
LB
Line Broadening (via EM)
NEDOR
LG
Lorentz-Gauss window
function
Multiple-Pulse Decoupling
with Phase and Frequency
Switching with n offsets
MP-GR
Nuclear Electronic DOuble

Resonance
NERO
LIS
Lanthanide Induced Shift
MultiPlanar Gradient-Recalled Acq. in Steady State
LORG
MPR
Nonlinear Excitation with

Rejection on Resonance
Local ORiGin
MultiPlanar Reconstruction
NEWS
LOcalized SpectroscopY
NEX
Number of EXcitations
LP
Linear Polarization, Linear

Prediction
Magnetization-Prepared
RApid Gradient Echo
(MP-GRE)
Narrow-gap non-Excitation
for Water Suppression
LOSY
MP-RAGE
NMR
Nuclear Magnetic
Resonance
LPSVD
Linear Prediction using

Singular Value
Decomposition
NOE
Nuclear Overhauser Effect
LSR
MQF
Lanthanide Shift Reagent
Multiple-Quantum Filter
NOE-DIFF
LUT
MQHPT
NOE-DIFFerence
spectroscopy
LookUp Table
NOESY
NOE-based 2D shift
correlation
MAGROFI
MAgnetization Grid
ROtating-Frame Imaging
Multiple Analysis by
Reduction of Cross peaks
and Ordering of Patterns in
an Overdetermined Library
Organization
Multiple-Quantum
Heteronuclear Polarization
Transfer
MQS
Multiple-Quantum
Spectroscopy
NOVEL
Nuclear Orientation Via

Electron spin Locking
MR
Magnetic Resonance
MRA
MR Angiography
MREV-n
MARDIGRAS
Matrix Analysis of Relaxation for DIstance GeometRy

of an Aqueous Structure
Mansfield-Rhim-EllemanVaughan homonuc. dipolar

dec. cycle of n pulses
MRV
MR Venography
MARF
Magic Angle in the

Rotating Frame
MRI
MAS
Magic-Angle Spinning
MASS
Magic-Angle Sample
Spinning
MAST
MARCO
POLO
MQ
Multiple-Quantum
MQC
Multiple-Quantum
Coherence
NPW
No Phase Wrap
NQCC
Nuclear Quadrupole
Coupling Constant
NQR
Nuclear Quadrupole
Resonance
NQS
Non-Quaternary
Suppression
Magnetic Resonance
Imaging
NSPECT
MRS
Non-localized
SPECTroscopy
Magnetic Resonance
Spectroscopy
OBTUSE
MRSI
Motion Artifact
Suppression Technique
Magnetic Resonance
Spectroscopic Imaging
Offset Binomial Tailored

for Uniform Spectral
Excitation
OCS
MRT
Optimized Cosine-Sine
pulse
MDEFT
Modified Driven
Equilibrium FT method
Magnetic Resonance
Tomography
ODMR
MS
MultiSlice
Optically Detected
Magnetic Resonance
ME
MultiEcho
mSENSE
modified SENSE
OS
Overcontiguous Slices
MS-EPI
MultiShot EPI
OSIRIS
MSHOT-n
Magic Sandwich HighOrder Truncation homonuc. dipolar decoupling

sequence with n TREV-4
sandwiches
Outer-Volume-Suppressed
Image-Related In vivo
Spectroscopy a modification of ISIS
PACE
Prospective Acquisition
CorrEction
PAR
Phase-Alternated Rotation
of magnetization
MEDUSA
Technique for the

Determination of Dynamic
Structures
MEM
Maximum Entropy Method
MEMP
MultiEcho MultiPlanar
MESS
MultiEcho Single Shot
MFISP
Mirrored FISP (PSIF)
MSME
MultiSlice MultiEcho
(T2 mapping)
27
NMR Tables
PARACEST
PARAmagnetic Chemical
Exchange Saturation
Transfer
PRFT
PAS
Principal Axis System
PC
Phase Contrast
PCA
Phase Contrast Angiography
PS-COSY
Phase-Sensitive COSY
P.COSY
Purged COSY
PSD
PD
Proton Density
PSIF
PDLF
Proton-Detected Local
Field
PE
Partially Relaxed Fourier

Transform
PROPELLER Periodically Rotated Overlapping ParallEL Lines with

Enhanced Reconstruction
PS
Partial Saturation
RELAY
RELAYed Correlation
Spectroscopy
REPAY
Reverse Editing of Protons

According to multiplicitY
REREDOR
Rotor-Encoded REDOR
REST
REgional Saturation
Technique
Phase-Sensitive Detection
RF
Radio Frequency
mirrored FISP
(SE acquisition)
RFDR
RF-Driven Recoupling
PT
RF-FAST
Polarization Transfer
RF-spoiled FAST
Phase Encoding
PW
RFOV
Pulse Width
Rectangular FOV
P.E.COSY
Primitive E.COSY, Purged

Exclusive COSY
PWI
RICE
Perfusion-Weighted
Imaging
Rapid Imaging using Composite Echo
PEDRI
Proton-Electron Double
Resonance Imaging
RIDE
RIng Down Elimination
Quality Factor (of RF

coil/circuit) Quantitative
... (e.g. QMRI, QCSI)
RINEPT
Reverse INEPT
RISE
Rapid Imaging using Spin

Echo
RMSD
Root-Mean-Square
Deviation
PELF
Proton-Encoded Local Field
PENDANT
Polarization ENhancement
During Attached Nucleus
Testing
QF
Quadrupole moment/Field
gradient (interaction or
relaxation mechanism)
PEP
Preservation of Equivalent
Pathways
Q Flow
Flow Quantification
ROAST
QPD
PFG
Pulsed Field Gradient
Quadrature Phase
Detection
Resonant Offset Averaging

in the STeady State
RODI
PFGSE
Pulsed Field Gradient Spin

Echo
QUEST
QUick Echo Split Imaging

Technique
ROtatin-grame relaxation
Dispersion Imaging
ROE
PGSE
Pulsed Gradient Spin Echo
QUIPSS
PISEMA
Polarization Inversion with

Spin Exchange at the
Magic Angle
QUantitative Imaging of
Perfusion using a Single
Subtraction
Rotating-frame Overhauser
Effect
ROESY
ROE-based 2D shift
correlation
RAM
Rapid Acquisition Matrix
ROI
Region Of Interest
RARE
Rapid Acquisition
Relaxation Enhanced
ROPE
Respiratory Ordered PE
ROTO
ROESY-TOCSY Relay
RAREst
RARE with short tE using

slew-rate-optimized
gradients
RPA
Random Phase
Approximation
RR
Rotational Resonance
RAREVTR
RARE with Variable TR

(simultaneous T1 & T2
mapping)
RSSARGE
RF-Spoiled SARGE
RT
Respiratory Trigger
RUFIS
Rotating UltraFast Imaging

Sequence
PITANSEMA Polarization Inversion Time

Averaged Nutation Spin
Exchange at the Magic
Angle
PJR
Power-adapted Jump and
Return
PMFG
Pulsed Magnetic Field

Gradient
PMLG
Phase-Modulated
Lee-Goldburg dipolar
decoupling
PMRFI
Phase-Modulated RotatingFrame Imaging
POF
Product Operator
Formalism
POMMIE
Phase Oscillations to
MaxiMIze Editing
POST
Permutationally OffsetSTabilized
RASE
Rapid Acquisition Spin

Echo
RBW
Receiver BandWidth
RCF
Rotating Coordinate Frame
RCT
Relayed Coherence
Transfer
RE
Rapid Excitation (MRI)
REAPDOR
Rotational Echo Adiabatic

Passage DOuble
Resonance
SARGE
Spoiled steady-state
Acquisition with Rewinded
Gradient Echo
SAT
SATuration
SB
Sine-Bell window function
SC
Scalar Coupling
S.COSY
COSY with shift Scaling

in F1
Refocused Band-selective
Uniform Response Pure
phase
Multistep RElayed
Coherence SpectroscopY
SCT
SCan Time
SCUBA
Rotational Echo DOuble

Resonance
Stimulate Cross peaks

Under Bleached Alphas
SD
Spin Dipolar
Proton Relaxation
Enhancement
Presat
Presaturation (usually of
solvent)
RECSY
Point-RESolved
Spectroscopy
REDOR
28
Shielding Anisotropy
Specific Absorption Rate
(RF)
RE-BURP
PRE
PRESS
SA
SAR
NMR Tables
SDDS
Spin Decoupling
Difference Spectroscopy
SINGLE
PULSE
SINGLE PULSE-acquire
spectroscopy
SR
Saturation-Recovery
SDEPT
Selective DEPT
SIS
Substituent-Induced Shift
SRP
Self-Refocusing Pulse
SE
Spin Echo
SJR
Slice Selection (gradient),

Single Slice
SECSY
Spin-Echo Correlated
SpectroscopY
Second-order Jump and

Return
SS
SKEWSY
SSB
Shifted Sine-Bell window

function
SEDOR
Spin-Echo DOuble
Resonance
SKEWed Exchange
SpectroscopY
SL
Spin-Lock pulse
SSFP
Steady-State Free
Precession
SEDRA
Simple Excitation for

Dephasing of Rotational
echo Amplitudes
SLF
Separated Local Field
SSFSE
Single-Shot FSE
SLITDRESS
SLIce inTerleaved Depth

REsolved Surface coil
Spectroscopy
SSI
Solid State Imaging
SSMP
Single-Slice Multiple-Phase
ssNMR
solid-state NMR
SSTSE/T2
Single-Shot TSE with T2

weighting
ST
Saturation Transfer, Slice

Thickness
STAGE
Small Tip Angle GE
STE
STimulated Echo
STEAM
STimulated Echo Acquisition Mode for imaging
STEP
STE Progressive Imaging
STERF
Steady-State TEchnique
with Refocused FID
STIR
Short T1 InversionRecovery
STREAM
Suppressed Tissue with

REfreshment Angiography
Method
STUD
Sech/Tanh Universal
Decoupling an adiabatic
decoupling scheme
SEDUCE
SElective Decoupling
Using Crafted Excitation
SEFT
Spin-Echo Fourier
Transform Spectroscopy
(with J modulation)
SELCOSY
SELective COSY
SELTICS
Sideband ELimination by
Temporary Interruption of
the Chemical Shift
SELINCOR
SELective INverse
CORrelation
SELINQUATE SELective INADEQUATE

SELRESOLV SELective RESolution of
C,H Coupling
SEMS
Spin-Echo MultiSlice
SEMUT
Subspectral Editing
Using a
MUltiple-Quantum Trap
SENSE
SENSitivity Encoding
sEPI
spiral EPI
SEPT
Selective INEPT
SERF
SElective ReFocussing
SESAM
SEmi-Selective Acquisition
Modulated (Decoupling)
SLOPT
Spin-LOcking Polarization
Transfer
SMART
Shimadzu Motion Artifact

Reduction Technique
SMASH
Short Minimum Angle

SHot, SiMultaneous
Acquisition of Spatial
Harmonics
SNR or S/N Signal-to-Noise Ratio

SOPPA
Second-Order Polarization
Propagator Approach
SORS/STC Slice-selective Off-Resonance Sinc Pulse / Saturation Transfer Contrast
SPACE
SPAtial and Chemical-Shift
Encoded Excitation
SPAIR
SPectral Selection Attenuated Inversion Recovery
SPECIFIC-CP SPECtrally Induced
Filtering In Combination
with Cross Polarization
SPEED
Swap PhasE-Encoded Data
SPGR
SPoiled Gradient-Recalled
SPI
Selective Population
Inversion
SPIDER
SUBMERGE SUppression By Mistuned

Echo and Repetitive
Gradient Episodes
SUSAN
Steady-state Projection
Imaging with Dynamic
Echo Train Readout
Spin decoupling employing

Ultra-broadband inversion
sequences generated via
Simulated ANnealing
SPIO
SWATTR
Selective Water Attenuation by T2 and T1 Relaxation
Selective HEteronuclear
CORrelation
SuperParamagnetic Iron
Oxide
SPIR
SVS
Single-Volume
Spectroscopy
SHORT repetition
techniques
Spectral Presaturation
Inversion-Recovery
SPIRAL
MRI with SPIRAL k-space

scan
T1 ...
T1-weighted ... (method)
T1W
T1-Weighted
SPRITE
Single-Point Ramped Imaging with T1 Enhancement
T2 ...
T2-weighted ... (method)
T2W
T2-Weighted
Selective Population
Transfer
T2*W
T2*-Weighted
TACSY
TAylored Correlation
SpectroscopY
TANGO
Testing for Adjacent

Nuclei with a Gyration
Operator
SFAM
Simultaneous Freq. and

Ampl. Modulation
SFORD
Single Frequency OffResonance Decoupling
SGSE
Steady-Gradient Spin-Echo
SHECOR
SHORT
SI
Spectroscopic Imaging
SIAM
Simultaneous acq. of
In-phase and Antiphase
Multiplets
SIP
Saturation Inversion
Projection
SIMBA
SINEPT
SPT
SQ
Single-Quantum
Selective Inverse MultipleBond Analysis
SQC
Single-Quantum
Coherence
SINE-dependent PT
SQF
Single-Quantum Filter
29
NMR Tables
TART
Tip Angle Reduced

T1 Imaging
TrueFISP
TD
Trigger Delay,
Time Difference
TS
Time of Saturation
TSE
TCF
Time Correlation Function
TSETSE
TE
Time delay between excitation and Echo maximum
TEDOR
Transferred-Echo DOuble
Resonance
TEI
TE Interleaved
TF
Turbo Factor
TFE
Turbo Field Echo
TGSE
Turbo Gradient Spin Echo
THRIVE
T1W High-Resolution Isotropic Volume Examination
TI
Time following Inversion
TIR
Turbo IR
TMR
Topical Magnetic
Resonance
TOBSY
TOtal through-Bond
correlation SpectroscopY
WFOP
Water Fat Opposed Phase
WFS
Water Fat Separation

(Shift Difference)
Turbo Spin Echo
WHH-n
double-resonance TwoSpin Effect for correlation

spectroscopy
WAHUHA dec. cycle of n

pulses
WIM-n
Windowless Isotropic Mixing dec. cycle of n pulses
TSR
Total SR
WURST
TurboFLASH
FLASH sequence during

one IR period
U-BURP
Universal BURP pulse
Wideband, Uniform Rate,

and Smooth Truncation
an adiabatic decoupling
sequence
UE
Unpaired Electron
(relaxation mechanism)
XCORFE
H, X CORrelation using a
Fixed Evolution time
UFSE
UltraFast SE
XD-NOESY
eXchange-Decoupled
NOESY
UNCOSY
UNiform excitation COSY
X-FILTER
USPIO
UltraSmall Paramagnetic
Iron Oxide
Selection of 1H-1H correlation when both H are

coupled to X
UTE
Ultra-short TE radial scan
X-HALFFILTER
Selection of 1H-1H correlation when one H is

coupled to X
FISP with balanced

gradient waveform
UTSE
Ultra-short TSE
VAPRO
VAriable PROjection
method
Z-COSY
Z-filtered COSY
Z-FILTER
pulse sandwich for elimination of signal components

with dispersive phase
TOCSY
TOtal Correlation
SpectroscopY
VAS
Variable Angle Spinning
VE
Velocity-Encoded
TOF
Time-Of-Flight
VEC
Truncated NOE
Velocity-Encoded Cine
(MRI)
ZECSY
TOE
Zero-Quantum-Echo
Correlation SpectroscopY
TONE
Tilt-Optimized
Nonsaturated Excitation
VEMP
Variable-Echo MultiPlanar
ZIP
VENC
Velocity ENCoding value
Zero-fill Interpolation
Processing
TORO
TOCSY-ROESY Relay
VEST
ZQ
Zero Quantum
TOSS
TOtal Suppression of
Sidebands
Volume Excitation
STimulated echoes
VIGRE
TPPI
Time-Proportional Phase
Incrementation
Volumetric Interpolated
GRadient Echo
VOI
Volume Of Interest
TPPM
Two-Pulse Phase
Modulation
VOSING
VOlume-selective Spectral
editING
TPR
Time and Phase Reversal
VOSY
TQ
Triple-Quantum
VOlume-Selective
SpectroscopY
TQF
Triple-Quantum Filter
VPS
TR
Time for Repetition of

excitation
T/R
ZQC
Zero-Quantum Coherence
ZQF
Zero-Quantum Filter
ZZSpectroscopy
Selection of coherences
involving ZZ or longitudinal
two-spin order
ZZZSpectroscopy
Selection of coherences
involving longitudinal 3-spin
order
Volumes Per Segment
-COSY
VSOP
Very Small superparamagnetic iron Oxide Particles
COSY with low-angle

mixing pulse
-COSY
Transmit/Receive
WAHUHA
TRAPDOR
TRAnsfer of Populations in
DOuble Resonance
WAugh-HUber-HAeberlen
Sequence
pseudo-COSY using
incremented freq.-
selective excitation
WALTZ
TRCF
Tilted Rotating Coordinate

Frame
CPD Sequence Containing

the Elements 1-2-3
TREV-n
Time-REVersal echo
sequence of n pulses for
homonuc. dipolar dec.
WATERGATE
WATER suppression
through GrAdient Tailored
Excitation
WATR
Water Attenuation by
Transverse Relaxation
WEFT
Water Eliminated Fourier

Transform
WET
Water suppression Enhanced through T1 effects
TRNOE
TRansferred NOE
TROSY
Transverse Relaxation
Optimized SpectroscopY
T-ROESY
Transverse ROESY
30
NMR Tables
Symbols for NMR and Related Quantities*
Roman alphabet
a or A

Hyperfine (electron-nucleus) coupling

constant
Aq(l,m)

The mth component of an irreducible

tensor of order l representing the nuclear
spin operator for an interaction of type q
B

B o

B1, B2

BL

C
CX

D
Di,j

D C
D P
E
F
F1, F2 or f1, f2

Magnetic field (strictly the magnetic flux

density or magnetic induction)
Nuclear spin operator for a group, G,

of nuclei
FG

FG

g

G
H
H i,j
j
j+, j

Ij

J
n
JAB

J()

n
KAB

Static magnetic field of an NMR

spectrometer
Radiofrequency magnetic fields associated
with frequencies 1, 2
Local magnetic field of random field or
dipolar origin
Spin-rotation interaction tensor
Spin-rotation coupling constant of
nuclide X
Dipolar interaction tensor
Dipolar coupling constant between
nuclei (i and j), in Hz
Nuclear receptivity relative to that of 13C
Nuclear receptivity relative to that of 1H
Electric field strength
Spectral width
The two frequency dimensions of a
two-dimensional spectrum
Magnetic quantum number associated

^
with FG
Nuclear or electronic g factor
(Land splitting factor)
Magnetic field gradient amplitude
Hamiltonian operator
Matrix element of Hamiltonian operator
Nuclear spin operator for nucleus j
Raising and lowering spin operators
for nucleus j
Magnetidc quantum number associated
with j
Indirect coupling tensor
Spin-spin coupling constant for nuclei
A and B through n bonds in Hz
Spectral density of fluctuations at angular
frequency
L
mj

mtot

mtot(X)

Angular momentum
Eigenvalue of j z (magnetic component
quantum number)
Total magnetic component quantum number
for a spin system (eigenvalue of jj z)
Total magnetic component quantum
number for X-type nuclei
Mo

Mx, My, Mz

Mn

n, n
Populations of the and spin states
Total number of nuclei of a given type

per unit volume in the sample
Electric field gradient tensor in units of the

elementary charge
eQ

RX1

RX2

Nuclear quadrupole moment, Q is in m2 and

e is the elementary charge in C
RX1p
Longitudinal relaxation rate constant for

nucleus X in the reference frame rotating
with B1
Equilibrium macroscopic magnetization

per unit volume in the presence of Bo
Components of macroscopic magnetization
per volume
nth moment of spectrum (M2 = second
moment, etc.)
Spin-lattice (longitudinal) relaxation rate

constant for nucleus X
Spin-spin (transverse) relaxation rate
constant for nucleus X
Signal intensity
Electron (or, occasionally, nuclear) spin

operator; cf.
t1, t2
Time dimensions for two-dimensional NMR
T c

T X1

T X2

T 2*
Coalescence temperature under chem.

exchange for signals in an NMR spectrum
Spin-spin (transverse) relaxation time

of the X nucleus
Net dephasing time for Mx or My
T X1p

Longitudinal relaxation time for the X nucleus

in the reference frame rotating with B1
Td
Ta c
Pulse (recycle) delay

Acquisition time
Tq(l,m)

The mth component of an irreducible

tensor of order l representing the strength
of an interaction of type q
Spin-lattice (longitudinal) relaxation time

of the X nucleus
Reduced nuclear spin-spin coupling

constant K AB = 42JAB/hAB) in T 2J 1
* IUPAC Recommendations: Magnetic Resonance in Chemistry, Vol. 36, 145-149 (1998)
31
NMR Tables
Symbols for NMR and Related Quantities*
1
V

V

Electric field gradient tensor. V = eq,

where e is the elementary charge
Elements of Cartesian electric field
gradient tensor
Wo, W1, W2

Relaxation rate constants

(transition probabilities per time) between
energy levels differing by 0, 1 and 2 in mtot
Wrs
Transition probability between spin states

r and s
Nuclear spin wavefunction

(eigenfunction of z) for the
mI = + state of a spin- nucleus

^
i j

j
ll ,
The Ernst angle (for optimum sensitivity)
Nuclear spin wavefunction

(eigenfunction of z) for the
mI = state of a spin- nucleus
Greek alphabet
X
d X
Frequency of primary RF magnetic

field B1 (excitation, detection)
Frequency of secondary RF magnetic
field B2 (decoupling)
Normalized resonance frequency
for nucleus X relative to H for
tetramethylsilane (TMS) at the same
BO field; x = 100 x /H (TMS)
Density matrix
Density operator
Element of matrix representation of ^
Shielding tensor
(Isotropic) shielding constant of nucleus j
Components of shielding tensor parallel
and perpendicular to the symmetry axis
Reduced density operator
(i) Time between RF pulses or recovery time
following inversion
(ii) lifetime in dynamic NMR studies
Magnetogyric ratio of nucleus X

Chemical shift (for the resonance) of
nucleus of element X, usually in ppm
Population difference between nuclear

states (no at Boltzmann equilibrium)
d
null
Change or difference in d
Full width in frequency units of a
resonance line at half-height
p
sc
Permittivity of the vacuum

Anisotropy in shielding, expressed
as zz - iso
sr
II ,
Correlation time for spin-rotation relaxation
Anisotropy in [ = zz - (xx + YY)]

(i) Susceptibility anisotropy ( = ll - );
(ii) difference in electronegativities
Pulse duration
Correlation time for relaxation by the scalar
mechanism

j, o, 1,2

(i) Magnetic susceptibility;

(ii) nuclear quadrupole coupling constant
( = e qZZQ/h)
1, 2
Angular frequency of RF fields B1, B2
n
d
1/2

o
B
N
j

(i) Nuclear Overhauser enhancement;

(ii) tensor asymmetry factor; (iii) viscosity
Skew of a tensor
Angle, especially for that between a given
vector and Bo
(i) Magnetic dipole moment (component z
along Bo); (ii) electric dipole moment
Correlation time for molecular motion,

especially for isotropic molecular tumbling
Dwell time for data sampling
Recovery time leading to null Mz
after a 180 pulse
Correlation times for molecular tumbling

parallel and perpendicular to the symmetry
axis
As for j, o, 1, 2 but in angular

frequency units (rad/s)
Span of a tensor
Permeability of the vacuum

Bohr magneton (earlier e)
Nuclear magneton (earlier N)
Larmor or resonance frequency of nucleus j
(in Hz)
(i) Spectrometer operating frequency;
(ii) Basic Larmor or resonance frequency
for a given isotope
* IUPAC Recommendations: Magnetic Resonance in Chemistry, Vol. 36, 145-149 (1998)
32
NMR Tables
H Chemical Shifts for Common Contaminants in Deuterated Solvents
Proton

CH3
CH3
CH3
CH
CH3
OHc
CCH3
OCH3
ArH
OHc
ArCH3
ArC(CH3)3
CH
CH2
CH2
CH2
CH3
CH2
CH2
CH2
OCH3
CH3
CH2
CH3CO
NCH3
NCH3
CH
CH3
CH3
CH3
CH2
CH3
CH2
OH
CH3CO
CH2CH3
CH2CH3
CH3CO
CH2CH3
CH2CH3
CH
CH3
CH2
CH3
CH2
CH3
CH3
OH
CH3
CH3
CH2
residual solvent H
H2O
acetic acid
acetone
acetonitrile
benzene
t-butanol

t-butyl methyl ether

BHTb

chloroform
cyclohexane
1,2-dichloroethane
dichloromethane
diethyl ether

diglyme

1,2-dimethoxyethane

dimethylacetamide

dimethylformamide

dimethylsulfoxide
dioxane
ethanol

ethyl acetate

ethyl methyl ketone

ethylene glycol
greasef

n-hexane

HMPAg
methanol

nitromethane
n-pentane

mult., J CDCl3 (CD3)2CO (CD3)2SO C6D6

s
s
s
s
s
s
s
s
s
s
s
s
s
s
s
s
s
t, 7
q, 7
m
m
s
s
s
s
s
s
s
s
s
s
s
t, 7
q, 7d
sc,d
s
q, 7
t, 7
s
q, 7
t, 7
se
m
br s
t
m
d, 9.5
sh
sc,h
s
t, 7
m
Reprinted with permission from: J. Org. Chem. 1997, 62, 7512-7515
7.26
1.56
2.10
2.17
2.10
7.36
1.28

1.19
3.22
6.98
5.01
2.27
1.43
7.26
1.43
3.73
5.30
1.21
3.48
3.65
3.57
3.39
3.40
3.55
2.09
3.02
2.94
8.02
2.96
2.88
2.62
3.71
1.25
3.72
1.32
2.05
4.12
1.26
2.14
2.46
1.06
3.76
0.86
1.26
0.88
1.26
2.65
3.49
1.09
4.33
0.88
1.27
2.05
2.84 a
1.96
2.09
2.05
7.36
1.18

1.13
3.13
6.96

2.22
1.41
8.02
1.43
3.87
5.63
1.11
3.41
3.56
3.47
3.28
3.28
3.46
1.97
3.00
2.83
7.96
2.94
2.78
2.52
3.59
1.12
3.57
3.39
1.97
4.05
1.20
2.07
2.45
0.96
3.28
0.87
1.29
0.88
1.28
2.59
3.31
3.12
4.43
0.88
1.27
2.50
3.33 a
1.91
2.09
2.07
7.37
1.11
4.19
1.11
3.08
6.87
6.65
2.18
1.36
8.32
1.40
3.90
5.76
1.09
3.38
3.51
3.38
3.24
3.24
3.43
1.96
2.94
2.78
7.95
2.89
2.73
2.54
3.57
1.06
3.44
4.63
1.99
4.03
1.17
2.07
2.43
0.91
3.34

0.86
1.25
2.53
3.16
4.01
4.42
0.86
1.27
7.16
0.40
1.55
1.55
1.55
7.15
1.05
1.55
1.07
3.04
7.05
4.79
2.24
1.38
6.15
1.40
2.90
4.27
1.11
3.26
3.46
3.34
3.11
3.12
3.33
1.60
2.57
2.05
7.63
2.36
1.86
1.68
3.35
0.96
3.34

1.65
3.89
0.92
1.58
1.81
0.85
3.41
0.92
1.36
0.89
1.24
2.40
3.07

2.94
0.87
1.23
CD3CN CD3OD
1.94
2.13
1.96
2.08
1.96
7.37
1.16
2.18
1.14
3.13
6.97
5.20
2.22
1.39
7.58
1.44
3.81
5.44
1.12
3.42
3.53
3.45
3.29
3.28
3.45
1.97
2.96
2.83
7.92
2.89
2.77
2.50
3.60
1.12
3.54
2.47
1.97
4.06
1.20
2.06
2.43
0.96
3.51
0.86
1.27
0.89
1.28
2.57
3.28
2.16
4.31
0.89
1.29
D2O
3.31
4.87
1.99
2.15
2.03
7.33
1.40
4.79
1.15
3.20
6.92
1.21
3.22
2.21
1.40
7.90
1.45
3.78
5.49
1.18
3.49
3.61
3.58
3.35
3.35
3.52
2.07
3.31
2.92
7.97
2.99
2.86
2.65
3.66
1.19
3.60
2.08
2.22
2.06
1.24
1.17
3.56
3.67
3.61
3.37
3.37
3.60
2.08
3.06
2.90
7.92
3.01
2.85
2.71
3.75
1.17
3.65
2.01
4.09
1.24
2.12
2.50
1.01
3.59
0.88
1.29
0.90
1.29
2.64
3.34
2.07
4.14
1.24
2.19
3.18
1.26
3.65
4.34
0.90
1.29
4.40
2.61
3.34
1997 American Chemical Society
33
NMR Tables
H Chemical Shifts for Common Contaminants in Deuterated Solvents (continued)
Proton
mult.
CH3
CH
CH(2)
CH(3)
CH(4)
CH3
CH2
CH2O
CH3
CH(o/p)
CH(m)
CH3
CH2
d, 6
sep, 6
m
m
m
s
m
m
s
m
m
t, 7
q, 7
i-propanol

pyridine

silicone greasei
tetrahydrofuran

toluene

triethylamine

CDCl3 (CD3)2CO (CD3)2SO C6D6

1.22
1.10
4.04
3.90
8.62
8.58
7.29
7.35
7.68
7.76
0.07
0.13
1.85
1.79
3.76
3.63
2.36
2.32
7.17 7.1-7.2
7.25 7.1-7.2
1.03
0.96
2.53
2.45
1.04
3.78
8.58
7.39
7.79

1.76
3.60
2.30
7.18
7.25
0.93
2.43
CD3CN CD3OD
0.95
1.09
3.67
3.87
8.53
8.57
6.66
7.33
6.98
7.73
0.29
0.08
1.40
1.80
3.57
3.64
2.11
2.33
7.02 7.1-7.3
7.13 7.1-7.3
0.96
0.96
2.40
2.45
1.50
3.92
8.53
7.44
7.85
0.10
1.87
3.71
2.32
7.16
7.16
1.05
2.58
D2O
1.17
4.02
8.52
7.45
7.87
1.88
3.74
0.99
2.57
In these solvents the intermolecular rate of exchange is slow enough that a peak due to HDO is usually also observed; it appears
at 2.81 and 3.30 ppm in acetone and DMSO, respectively. In the former solvent, it is often seen as a 1:1:1 triplet, with 2JH,D = 1 Hz.
2,6-di-tert-butyl-4-methylphenol. c The signals from exchangeable protons were not always identified. d In some cases (see note a),
the coupling interaction between the CH2 and the OH protons may be observed (J = 5 Hz).e In CD3CN, the OH proton was seen as
a multiplet at d 2.69, and extra coupling was also apparent on the methylene peak. f Long-chain, linear aliphatic hydrocarbons. Their
solubility in DMSO was too low to give visible peaks. g Hexamethylphosphoramide. h In some cases (see notes a, d), the coupling
interaction between the CH3 and the OH protons may be observed (J = 5.5 Hz). i Poly(dimethylsiloxane). Its solubility in DMSO was
too low to give visible peaks.
a
13
C Chemical Shifts for Common Contaminants in Deuterated Solvents
solvent signals

acetic acid

acetone

acetonitrile

benzene
t-butanol

t-butyl methyl ether

BHT

chloroform
cyclohexane
1,2-dichloroethane
dichloromethane
diethyl ether

34

CO
CH3
CO
CH3
CN
CH3
CH
C
CH3
OCH3
C
CCH3
C(1)
C(2)
CH(3)
C(4)
CH3Ar
CH3C
C
CH
CH2
CH2
CH2
CH3
CH2
CDCl3
77.16

175.99
20.81
207.07
30.92
116.43
1.89
128.37
69.15
31.25
49.45
72.87
26.99
151.55
135.87
125.55
128.27
21.20
30.33
34.25
77.36
26.94
43.50
53.52
15.20
65.91
(CD3)2CO (CD3)2SO
29.84
206.26
172.31
20.51
205.87
30.60
117.60
1.12
129.15
68.13
30.72
49.35
72.81
27.24
152.51
138.19
129.05
126.03
21.31
31.61
35.00
79.19
27.51
45.25
54.95
15.78
66.12
39.52

171.93
20.95
206.31
30.56
117.91
1.03
128.30
66.88
30.38
48.70
72.04
26.79
151.47
139.12
127.97
124.85
20.97
31.25
34.33
79.16
26.33
45.02
54.84
15.12
62.05

C6D6
CD3CN
CD3OD
128.06

175.82
20.37
204.43
30.14
116.02
0.20
128.62
68.19
30.47
49.19
72.40
27.09
152.05
136.08
128.52
125.83
21.40
31.34
34.35
77.79
27.23
43.59
53.46
15.46
65.94
1.32
118.26
173.21
20.73
207.43
30.91
118.26
1.79
129.32
68.74
30.68
49.52
73.17
27.28
152.42
138.13
129.61
126.38
21.23
31.50
35.05
79.17
27.63
45.54
55.32
15.63
66.32
49.00
175.11
20.56
209.67
30.67
118.06
0.85
129.34
69.40
30.91
49.66
74.32
27.22
152.85
139.09
129.49
126.11
21.38
31.15
35.36
79.44
27.96
45.11
54.78
15.46
66.88
D2O
177.21
21.03
215.94
30.89
119.68
1.47
70.36
30.29
49.37
75.62
26.60
14.77
66.42
NMR Tables
C Chemical Shifts for Common Contaminants in Deuterated Solvents (continued)
13
diglyme

1,2-dimethoxyethane

dimethylacetamide

dimethylformamide

dimethyl sulfoxide
dioxane
ethanol

ethyl acetate

ethyl methyl ketone

ethylene glycol
grease
n-hexane

HMPAb
methanol
nitromethane
n-pentane

i-propanol

pyridine

silicone grease
tetrahydrofuran

toluene

triethylamine

CDCl3
(CD3)2CO (CD3)2SO
C6D6
CD3CN
CD3OD
D2O
CH3
CH2
CH2
CH3
CH2
CH3
CO
NCH3
NCH3
CH
CH3
CH3
CH3
CH2
CH3
CH2
CH3CO
CO
CH2
CH3
CH3CO
CO
CH2CH3
CH2CH3
CH2
CH2
CH3
CH2(2)
CH2(3)
CH3
CH3
CH3
CH3
CH2(2)
CH2(3)
CH3
CH
CH(2)
CH(3)
CH(4)
CH3
CH2
CH2O
CH3
C(i)
CH(o)
CH(m)
CH(p)
CH3
CH2
59.01
70.51
71.90
59.08
71.84
21.53
171.07
35.28
38.13
162.62
36.50
31.45
40.76
67.14
18.41
58.28
21.04
171.36
60.49
14.19
29.49
209.56
36.89
7.86
63.79
29.76
14.14
22.70
31.64
36.87
50.41
62.50
14.08
22.38
34.16
25.14
64.50
149.90
123.75
135.96
1.04
25.62
67.97
21.46
137.89
129.07
128.26
125.33
11.61
46.25
58.77 57.98
71.03 69.54
72.63 71.25
58.45 58.01
72.47 17.07
21.51 21.29
170.61 169.54
34.89 37.38
37.92 34.42
162.79 162.29
36.15 35.73
31.03 30.73
41.23 40.45
67.60 66.36
18.89 18.51
57.72 56.07
20.83 20.68
170.96 170.31
60.56 59.74
14.50 14.40
29.30 29.26
208.30 208.72
36.75 35.83
8.03 7.61
64.26 62.76
30.73 29.20
14.34 13.88
23.28 22.05
32.30 30.95
37.04 36.42
49.77 48.59
63.21 63.28
14.29 13.28
22.98 21.70
34.83 33.48
25.67 25.43
63.85 64.92
150.67 149.58
124.57 123.84
136.56 136.05
1.40

26.15 25.14
68.07 67.03
21.46 20.99
138.48 137.35
129.76 128.88
129.03 128.18
126.12 125.29
12.49 11.74
47.07 45.74
58.66
70.87
72.35
58.68
72.21
21.16
169.95
34.67
37.03
162.13
35.25
30.72
40.03
67.16
18.72
57.86
20.56
170.44
60.21
14.19
28.56
206.55
36.36
7.91
64.34
30.21
14.32
23.04
31.96
36.88
49.97
61.16
14.25
22.72
34.45
25.18
64.23
150.27
123.58
135.28
1.38
25.72
67.80
21.10
137.91
129.33
128.56
125.68
12.35
46.77
58.90
70.99
72.63
58.89
72.47
21.76
171.31
35.17
38.26
163.31
36.57
31.32
41.31
67.72
18.80
57.96
21.16
171.68
60.98
14.54
29.60
209.88
37.09
8.14
64.22
30.86
14.43
23.40
32.36
37.10
49.90
63.66
14.37
23.08
34.89
25.55
64.30
150.76
127.76
136.89

26.27
68.33
21.50
138.90
129.94
129.23
126.28
12.38
47.10
59.06
71.33
72.92
59.06
72.72
21.32
173.32
35.50
38.43
164.73
36.89
31.61
40.45
68.11
18.40
58.26
20.88
172.89
61.50
14.49
29.39
212.16
37.34
8.09
64.30
31.29
14.45
23.68
32.73
37.00
49.86
63.08
14.39
23.38
35.30
25.27
64.71
150.07
125.53
138.35
2.10
26.48
68.83
21.50
138.85
129.91
129.20
126.29
11.09
46.96
58.67c
70.05c
71.63c
58.67c
71.49c
21.09c
174.57c
35.03c
38.76c
165.53c
37.54c
32.03c
39.39c
67.19c
17.47c
58.05c
21.15c
175.26c
62.32c
13.92c
29.49c
218.43c
37.27c
7.87c
63.17c
36.46c
49.50c
63.22c
24.38c
64.88c
149.18c
125.12c
138.27c
25.67c
68.68c
9.07c
47.19c
See footnotes for Table 1. b 2JPC = 3 Hz. c Reference material; see text.
Reprinted with permission from J. Org. Chem. 1997, 62, 7512-7515
1997 American Chemical Society
35
NMR Formulae

Quantity
Formula
Definitions (SI units)
(bold face = vectors)
(see SI section for constants and units)

Magnetic Field
Magnetic Force

B = o H
F = Q B
B = magn. flux density, magn. induction (T)

H = magn. field strength (A m1)
o = permeability of vacuum (4 107 H m1)
Q = elec. charge (C); = velocity (m/s)
Nuclear Spin
Spin Angular Mom.
Magn. Moment
I
mI
I = I I I= gI N I
= magnetogyric ratio (rad s1 T1); = h/2

N = B (nuclear magneton); gI = nuclear g factor
mI = quantum no. (-I, -I+1, ...+I)
Zeeman Interaction
Larmor Freq.
Nutation Vector
H = -I B0, E = -mI I B0
0 = I B0, 0 = I B0
= I B
in rad s1, in Hz (m I = 1), = /2

(clockwise precession in lab frame for > 0)
Boltzmann Pop. Diff.

Equil. Magn.
N/N ~ I /2kT (mI = 1)

M0 = B0 [N I22 I(I+1) / 3kT]
N = number of nuclei with spin I

T = temperature (K)

Rotating Frame (r.f.)
and residual field

B0 = B0 + r.f.
= B0 = 0 - r.f.

r.f. = rot. frame vector (detector freq.) in

direction 0 (-z axis for > 0)
B0 = residual field in r.f.
= precession freq. in r.f. (clockwise in r.f.
for 0 > r. f.)
Effective RF Field
Amplitude and Tilt
Nutation

1 = B1, Beff = B1 + B0
Beff = [B12 + B02]1/2, tan = B0/B1
eff (in rad) = Beff p
Beff (in Hz) = 1/(490)
B1 = RF field vector in xy plane; nutation is ccw

around eff = Beff; = tilt angle between Beff
and xy-plane; for B0/B1 < 0.1: < 6, Beff B1
p = RF pulse width (s); 90 = 90 pulse
Optimum flip angle
cosopt = exp(-TR/T1)
TR = pulse repetition time

Relaxation rates
spin-lattice: R1 = 1/T1
spin-spin: R2 = 1/T2 = o
o = natural Lorentzian linewidth at half-height

Bulk Susceptibility
Correction
for cylindrical samples with external

ref. in coaxial capillary
corr = obs + C (ref sample)
C = +2/3 (tube perpendicular to B0)

C = 4/3 (tube parallel to B0)
Spin-echo amplitude
M(2 ) =
in constant B0 gradient M0 exp[-2 /T2 - (2/3)(G)2D 3]
90--180- Hahn echo with gradient G

D = diffusion coeff. in gradient direction
Spin-echo attenuation
in PFG-SE experiment
In (Secho / S0) = -bD

b = (G)2( - /3)
G = B0 gradient pulse amplitude (T/m)

= pulse width; = pulse spacing
Rotational Correlation
Time
Stokes-Einstein Relation
c = (4 r3) / (3kT)
c = rot. correlation time for isotropic tumbling

= viscosity; r = molecular radius (sphere)

Nuclear Oberhauser
Enhancement

MS{I}/MS(0) = 1 + 0.5( I / S)(R1IS/R1S)
(extreme narrowing; SC << 1)
enhancement of spin S due to continuous

irradiation of spin I; R1IS = dipolar relaxation of S
via I; R1S = relaxation of S via all mechanisms
Polarization Transfer
MS{PT}/MS(0) = I / S
PT from I to S via JIS
Lorentzian Lineshape

a() = R2 / [R2 + ]
d() = / [R22 + 2]
a(), d() = absorption, dispersion signals

= -
36
NMR Formulae
NMR Relaxation
Mechanisms (isotropic tumbling, SI units)
Remarks
Intramolecular Heteronuclear Dipole-Dipole

Spin I relaxed by Spin S
R1I = EIS rIS-6 [(1/12)J0(I - S) + (3/2)J1(I) + (3/4)J2(I + S)]
R2I = EIS rIS-6 [(1/6)J0(0) + (1/24)J0(I - S) + (3/4)J1(I) +
(3/2)J1(S) + (3/8)J2(I + S)]
where EIS = (0 /4)2 ( I S )2 S(S + 1)
Extreme narrowing: R1I = (4/3) EIS rIS-6 c (c << 1)
For several spins S: use rIS-6
NB: T1I = 1/R1I only when S is saturated
Factor (0/4) = 10-7 is required

for conversion from cgs-Gauss units to
MKSA (SI) units.
Spectral Densities for random
isotropic rotation
Jq() = Cq [c /(1 + 2c2)]
(q = 0,1,2)
C0 = 24/15; C1 = 4/15; C2 = 16/15
extreme narrowing: Jq() = Cq c
Intramolecular Homonuclear Dipole-Dipole

Spin Ik relaxed by Spin I1
R1I = EI rkl-6 (3/2) [J1(I) + J2(2I)]
R1pI = EI rkl-6 [(3/8)J0(1) + (15/4)J1(I) + (3/8)J2(2I)]
R2I = EI rkl-6 [(3/8)J0(0) + (15/4)J1(I) + (3/8)J2(2I)]
where EI = (0 /4)2 I4 2 I(I + 1)
Extreme narrowing: R1I = R2I = 2 EI rkl-6 c (c << 1)
For several spins I: use rkl-6
Intermolecular Heteronuclear Dipole-Dipole

Spin I on mol. A relaxed by Spin S on mol. B (C << 1)
R1I = 16 cS EIS / (27 rIS Dtrans)
(pair distribution function = step function)
Intermolecular Homonuclear Dipole-Dipole

Spin I on mol. A relaxed by Spin I on mol. B (C << 1)
R1I = 8cI EI / (9 rII Dtrans)
also found in the literature is:
R1I = (4/3) cI EI (/rII3) [1 + (2rII2/5 Dtrans )]
Spherical
Harmonics
Spherical harmonics up to
rank 2 expressed in polar
and orthogonal Cartesian
coordinates
Y0,0
Y1,0
Y1,1
Y2,0
Y2,1
Y2,2
EIS = (0 /4)2 ( I S )2 S(S + 1)

cS = conc. of spins S
rIS = distance of closest approach
Dtrans = (DA + DB) / 2
EI = (0/4)2 I4 2 I(I + 1)
cI = conc. of spins I
rII = distance of closest approach
= mol. jump time
1
4
3

4 cos
3
i
8 sin e
5
2
16 (3 cos 1
15
i
8 cos sin e
15
32
sin2 e2i
=
=
=
=
=
3
4
z
r
3 xiy
8
r
5
2z2 x2 y2
r2
16
15 (xiy)z
8
r2
15 (xiy)2
32
r2
37
NMR Formulae
Mechanisms (isotropic tumbling, SI units)
Remarks
Chemical Shift Anisotropy (CSA)

molecular tumbling modulates the interaction of the chem.
shift tensor with the B0 field.
R1 = (2/5) ECSA [c / (1 + 2c2)]
R2 = (1/90) ECSA {8c + [6c + (1 + 2c2)]}
predominant relaxation mech. for nonprotonated X nuclei

ECSA = 2 B02 2
= - (in ppm)
(assuming axial symmetry of tensor)
Quadrupole Relaxation (I > 1/2)

R1 = R2 = (3/40) CI [1 + 2/3] CQF2 c (c << 1)
CI = (2I + 3) / [I2(2I - 1)]

CQF = e2 Q qzz / = quadrupolar
coupling in Hz; = asymmetry param.
Spin-Rotation Interaction (SR)

Relaxation arises from the interaction of the nuclear spin
with magnetic fields generated by the rotation of a
molecular magnetic moment modulated by molecular
collisions:
1
(
T)
1 SR
2 I i kT 2
C eff J
3 2
Ii = moment of inertia of the molecule

Ceff = effective spin-rotational coupling constant
J = angular momentum correlation time
Ii
6kT
With c J = , we can introduce the reorientational

correlation time and we obtain:
1
( )
T
1 SR
I 2i 2 1
C eff
c
9 2
Scalar Coupling (SC)

This relaxation mechanism can occur if the nucleus I in
question is scalar coupled (with coupling constant J)
to a second spin (S > ) and the coupling is modulated
by either chemical exchange (SC relaxation of the
first kind) or the relaxation of spin S, e.g. if S > ,
(SC relaxation of the second kind). In this case spin
splittings disappear and single lines are observed.
1
( )
T
SC
82 J 2 S (S+1)
1 + (I - S)2 2SC
3
1
( )
T
42 J 2 S (S+1)
SC
SC +
3
1 + (I - S)2 2SC
1 SC
2 SC
[ ]
[ ]
SC = e, if exchange time e T1 of either spin (first kind)

SC = T SI (the relaxation time of spin S) if T S1 e, 1/2J

(second kind)
I and S are the resonance of I and S at the magnetic
1
field in which is measured.
( )
T
1,2 SC
38

NMR Tables Bruker2012

Uploaded by

Document Information

Copyright

Available Formats

Share this document

Share or Embed Document

Sharing Options

Did you find this document useful?

Is this content inappropriate?

Copyright:

Available Formats

NMR Tables Bruker2012

Uploaded by

Copyright:

Available Formats

2

Larmor Frequencies (MHz) vs. Bruker Field Strengths (Tesla)

NMR Frequency Tables

Larmor Frequencies (MHz) vs. Bruker Field Strengths (Tesla)

NMR Frequency Tables

18.7929 19.9673 21.1416 22.3160 23.4904

Larmor Frequencies (MHz) vs. Bruker Field Strengths (Tesla)

NMR Frequency Tables

Larmor Frequencies (MHz) vs. Bruker Field Strengths (Tesla)

NMR Frequency Tables

18.7929 19.9673 21.1416 22.3160 23.4904

Larmor Frequencies (MHz) vs. Bruker Field Strengths (Tesla)

NMR Frequency Tables

Larmor Frequencies (MHz) vs. Bruker Field Strengths (Tesla)

NMR Frequency Tables

NMR Properties of Selected Isotopes

NMR Properties of Selected Isotopes

NMR Properties of Selected Isotopes

[107 rad s-1 T-1]

NMR Properties of Selected Isotopes

NMR Properties of Selected Isotopes

[107 rad s-1 T-1]

NMR Properties of Selected Isotopes

(+77 keV excited state)

* Unstable isotope with lifetime suitable for NMR.

Formula MWave Density

C Shift J(CD) H2O/

H Chemical Shifts in Organic Compounds

C Chemical Shifts in Organic Compounds*

* Relative to internal tetramethylsilane.

* Relative to external standard BF3OEt2

* Relative to external standard H2O

alkyls, hydrides, and their adducts

halide adducts with

alkoxides and their adducts

Si(d1) refers to the carbon atom bearing the substituent

Some Representative 19F Chemical Shifts Referenced to CFCI3

Some Representative 31P Chemical Shifts Referenced to 85 % H3PO4

(b) Phosphorus (V) compounds

3-(trimethylsilyl) 2,2,3,3-tetradeuteropropionic acid sodium salt

Relevant Properties of Cryogenic Fluids

Normal Latent Amount of Liquid

NTP = normal room temperature and atmospheric pressure

H, 1H Coupling Constants in Selected Organic Molecules

Substituent Effect S(i,j) for JHH in Monosubstituted Benzenes

Axial Distance (m) from

Radial Distance (m) from

200 MHz/154 mm US PLUS LH

300 MHz/54 mm Fourier US LH

300 MHz/54 mm Ascend ULH

300 MHz/89 mm Ascend

300 MHz/154 mm US PLUS LH

400 MHz/54 mm Ascend

400 MHz/54 mm Ascend ULH

400 MHz/54 mm Ascend RS

400 MHz/89 mm Ascend

400 MHz/89 mm Ascend DNP

400 MHz/154 mm US PLUS LH

500 MHz/54 mm Ascend

500 MHz/54 mm Ascend ULH

500 MHz/54 mm Ascend RS

500 MHz/89 mm Ascend

500 MHz/154 mm US PLUS LH

600 MHz/54 mm Ascend