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ChemNMR 1H Estimation

7.96

7.46
2.50

7.68 7.96

7.46

Estimation quality is indicated by color: good, medium, rough

9 8 7 6 5 4 3 2 1 0
PPM

Protocol of the H-1 NMR Prediction (Lib=SU Solvent=DMSO 300 MHz):

Node Shift Base + Inc. Comment (ppm rel. to TMS)

CH 7.96 7.26 1-benzene


0.60 1 -C(=O)C
0.10 general corrections
CH 7.96 7.26 1-benzene
0.60 1 -C(=O)C
0.10 general corrections
CH 7.46 7.26 1-benzene
0.11 1 -C(=O)C
0.09 general corrections
CH 7.46 7.26 1-benzene
0.11 1 -C(=O)C
0.09 general corrections
CH 7.68 7.26 1-benzene
0.19 1 -C(=O)C
0.23 general corrections
CH3 2.50 0.86 methyl
1.69 1 alpha -C(=O)-1:C*C*C*C*C*C*1
-0.05 general corrections

1H NMR Coupling Constant Prediction

shift atom index coupling partner, constant and vector


7.96 6
1 7.5 H-C*C-H
4 1.5 H-C*C*C-H
2 1.5 H-C*CH*C-H
7.96 4
3 7.5 H-C*C-H
6 1.5 H-C*C*C-H
2 1.5 H-C*CH*C-H
7.46 3
4 7.5 H-C*C-H
2 7.5 H-C*C-H
1 1.5 H-C*CH*C-H
7.46 1
6 7.5 H-C*C-H
2 7.5 H-C*C-H
3 1.5 H-C*CH*C-H
7.68 2
3 7.5 H-C*C-H
1 7.5 H-C*C-H
4 1.5 H-C*CH*C-H
6 1.5 H-C*CH*C-H
2.50 8