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This molecule without stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 40.29 40.4
3 T 56.97 57.0
4 T 22.53 22.3
5 T 35.20 34.84
6 D 68.59 69.03
7 S 138.67 138.76
8 D 134.90 136.11
9 D 123.47 124.39
10 D 148.35 148.34
12 D 149.32 149.51





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 40.40 40.29
3 T 57.00 56.97
4 T 22.30 22.53
5 T 34.84 35.2
6 D 69.03 68.59
7 S 138.76 138.67
8 D 136.11 134.9
9 D 124.39 123.47
10 D 148.34 148.35
12 D 149.51 149.32






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