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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 23.31 23.86
2 D 48.37 47.09
4 T 45.86 33.32
5 S 139.43 135.04
6 D 129.40 129.11
7 D 128.64 128.85
8 D 128.02 126.5
9 D 128.64 128.85
10 D 129.40 129.11





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 23.86 23.31
2 D 47.09 48.37
4 T 33.32 45.86
5 S 135.04 139.43
6 D 129.11 129.4
7 D 128.85 128.64
8 D 126.50 128.02
9 D 128.85 128.64
10 D 129.11 129.4






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