ChemNMR

1
H Estimation
6.94
6.94
7.62
7.62
3.83
6.85
6.81
3.80
6.45 5.31
O
H
3
C
O
H
H
O
O
H
3
C
H H
Estimation quality is indicated by color: good, medium, rough
0 1 2 3 4 5 6 7 8
PPM
Pr ot ocol of t he H- 1 NMR Pr edi ct i on:
Node Shi f t Base + I nc. Comment ( ppmr el . t o TMS)
CH 6, 94 7, 26 1- benzene
- 0, 49 1 - O- C
- 0, 05 1 - C=C
0, 22 gener al cor r ect i ons
CH 7, 62 7, 26 1- benzene
- 0, 11 1 - O- C
0, 04 1 - C=C
0, 43 gener al cor r ect i ons
CH 6, 94 7, 26 1- benzene
- 0, 49 1 - O- C
- 0, 05 1 - C=C
0, 22 gener al cor r ect i ons
CH 7, 62 7, 26 1- benzene
- 0, 11 1 - O- C
0, 04 1 - C=C
0, 43 gener al cor r ect i ons
CH3 3, 80 0, 86 met hyl
2, 64 1 al pha - O- C=C
0, 30 gener al cor r ect i ons
CH3 3, 83 0, 86 met hyl
2, 87 1 al pha - O- 1: C*C*C*C*C*C*1
0, 10 gener al cor r ect i ons
H 6, 85 5, 25 1- et hyl ene
1, 24 1 - C=C gem
0, 36 1 - 1: C*C*C*C*C*C*1 ci s
H 6, 81 5, 25 1- et hyl ene
0, 02 1 - C=C ci s
1, 38 1 - 1: C*C*C*C*C*C*1 gem
0, 16 gener al cor r ect i ons
H 6, 45 6, 43 2- pyr one
0, 02 1 - C=C ci s f r om1- et hyl ene
H 5, 31 6, 38 2- pyr one
- 1, 07 1 - O- C ci s f r om1- et hyl ene
1H NMR Coupl i ng Const ant Pr edi ct i on
shi f t at omi ndex coupl i ng par t ner . const ant and vect or
6, 94 1
6 7 5 *
(E)-4-methoxy-6-(4-methoxystyryl)-2H-pyran-2-one
6 7, 5 H- C*C- H
3 1, 5 H- C*C*C- H
7, 62 6
1 7, 5 H- C*C- H
4 1, 5 H- C*C*C- H
6, 94 3
4 7, 5 H- C*C- H
1 1, 5 H- C*C*C- H
7, 62 4
3 7, 5 H- C*C- H
6 1, 5 H- C*C*C- H
3, 80 21
3, 83 8
6, 85 17
18 15, 1 H>C=C>H
6, 81 18
17 15, 1 H>C=C>H
6, 45 22
5, 31 23