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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 20.32 18.07
2 D 34.21 34.89
3 D 130.19 136.7
4 D 131.50 130.5
5 D 37.09 36.38
6 T 30.77 28.1
7 T 26.00 24.83
8 T 21.10 24.83
9 T 28.21 26.94
10 D 35.03 42.23
11 D 47.97 39.3
12 S 163.16 165.9
13 D 95.53 97.1
14 S 173.55 150.0
16 T 44.26 45.2
17 T 60.58 59.7
19 S 93.07 128.7
20 D 190.34 190.14
22 S 160.78 162.17




Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 18.07 20.32
2 D 34.89 34.21
3 D 136.70 130.19
4 D 130.50 131.5
5 D 36.38 37.09
6 T 28.10 30.77
7 T 24.83 26.0
8 T 24.83 21.1
9 T 26.94 28.21
10 D 42.23 35.03
11 D 39.30 47.97
12 S 165.90 163.16
13 D 97.10 95.53
14 S 150.00 173.55
16 T 45.20 44.26
17 T 59.70 60.58
19 S 128.70 93.07
20 D 190.14 190.34
22 S 162.17 160.78





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