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ChemNMR 1H Estimation

5.17
OH

7.32 4.98
7.25
1.49

7.25 7.32

7.25

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

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)

OH 5.17 4.20 alcohol


1.10 1 -C-C*R
-0.13 general corrections
CH 7.32 7.26 1-benzene
0.00 1 -C-O
0.06 general corrections
CH 7.32 7.26 1-benzene
0.00 1 -C-O
0.06 general corrections
CH 7.25 7.26 1-benzene
0.03 1 -C-O
-0.04 general corrections
CH 7.25 7.26 1-benzene
0.03 1 -C-O
-0.04 general corrections
CH 7.25 7.26 1-benzene
-0.03 1 -C-O
0.02 general corrections
CH 4.98 1.50 methine
1.28 1 alpha -1:C*C*C*C*C*C*1
2.10 1 alpha -O
0.10 1 alpha -C
CH3 1.49 0.86 methyl
0.38 1 beta -1:C*C*C*C*C*C*1
0.25 1 beta -O

1H NMR Coupling Constant Prediction

shift atom index coupling partner, constant and vector

5.17 9
7.32 6
1 7.5 H-C*C-H
4 1.5 H-C*C*C-H
2 1.5 H-C*CH*C-H
7.32 4
3 7.5 H-C*C-H
6 1.5 H-C*C*C-H
2 1.5 H-C*CH*C-H
7.25 3
4 7.5 H-C*C-H
2 7.5 H-C*C-H
1 1.5 H-C*CH*C-H
7.25 1
6 7.5 H-C*C-H
2 7.5 H-C*C-H
3 1.5 H-C*CH*C-H
7.25 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
4.98 7
8 6.8 H-C-CH2-H
1.49 8
7 6.8 H-CH2-C-H