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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 30.49 26.76
2 S 196.18 194.45
4 D 100.40 97.59
5 S 174.38 180.39
7 D 121.80 122.3
8 D 138.07 141.4
9 S 130.40 129.0
10 D 121.33 121.31
11 D 116.15 116.22
12 S 146.65 148.87
14 S 145.28 146.26
16 D 116.12 114.39




Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 26.76 30.49
2 S 194.45 196.18
4 D 97.59 100.4
5 S 180.39 174.38
7 D 122.30 121.8
8 D 141.40 138.07
9 S 129.00 130.4
10 D 121.31 121.33
11 D 116.22 116.15
12 S 148.87 146.65
14 S 146.26 145.28
16 D 114.39 116.12





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