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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


General   NMReDATA/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
NMReDATA
Prediction 1
hose_lotusv7
20 S 157.42 140.55157.44
15 D 147.27 40.22147.51
13 S 147.04 21.36148.02
17 S 144.10 143.73
2 D 140.89 157.36141.59
18 D 130.92 50.32130.98
24 S 127.01 126.3
19 D 121.27 26.58119.12
14 D 118.77 28.33120.45
1 T 114.34 101.33114.15
11 D 70.16 71.9771.66
10 D 60.51 147.8759.96
22 Q 55.38 55.68
4 T 53.38 131.5155.68
6 T 44.46 126.4544.19
3 D 39.53 121.4839.85
8 D 27.68 147.6227.82
7 T 27.06 26.53
9 T 23.69 118.5122.1





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
NMReDATA
Prediction 1
acd_lotusv7
20 S 157.44 140.55157.42
13 S 148.02 21.36147.04
15 D 147.51 40.22147.27
17 S 143.73 144.1
2 D 141.59 157.36140.89
18 D 130.98 50.32130.92
24 S 126.30 127.01
14 D 120.45 28.33118.77
19 D 119.12 26.58121.27
1 T 114.15 101.33114.34
11 D 71.66 71.9770.16
10 D 59.96 147.8760.51
4 T 55.68 131.5153.38
22 T 55.68 55.38
6 T 44.19 126.4544.46
3 D 39.85 121.4839.53
8 D 27.82 147.6227.68
7 T 26.53 27.06
9 T 22.10 118.5123.69






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