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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 21.70 21.27
2 S 130.14 130.22
3 S 137.36 137.43
4 D 128.71 127.5
5 D 137.18 137.2
6 S 139.80 137.77
7 Q 12.78 12.17
8 D 129.70 130.29
9 D 131.57 125.79
10 D 135.93 140.7
11 S 154.46 154.8
12 Q 13.89 20.11
13 D 118.09 118.13
14 S 170.60 170.58
17 S 34.33 33.83
18 Q 28.95 28.62
19 Q 28.95 28.62
20 T 39.90 39.23
21 T 19.33 18.55
22 T 33.30 32.67





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 21.27 21.7
2 S 130.22 130.14
3 S 137.43 137.36
4 D 127.50 128.71
5 D 137.20 137.18
6 S 137.77 139.8
7 Q 12.17 12.78
8 D 130.29 129.7
9 D 125.79 131.57
10 D 140.70 135.93
11 S 154.80 154.46
12 Q 20.11 13.89
13 D 118.13 118.09
14 S 170.58 170.6
17 S 33.83 34.33
18 Q 28.62 28.95
19 Q 28.62 28.95
20 T 39.23 39.9
21 T 18.55 19.33
22 T 32.67 33.3






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