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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 D 114.7 115.78114.7
2 S 156.3 157.1156.3
3 D 114.7 115.78114.7
4 D 126.9 127.15126.9
5 S 134.7 133.95134.7
6 D 126.9 127.15126.9
7 T 59.8 59.3159.5
8 D 70.8 71.3270.8
9 Q 35.9 35.835.38





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 115.78 114.7114.7
2 S 157.10 156.3156.3
3 D 115.78 114.7114.7
4 D 127.15 126.9126.9
5 S 133.95 134.7134.7
6 D 127.15 126.9126.9
7 T 59.31 59.859.5
8 D 71.32 70.870.8
9 Q 35.80 35.935.38





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 114.70 114.7115.78
2 S 156.30 156.3157.1
3 D 114.70 114.7115.78
4 D 126.90 126.9127.15
5 S 134.70 134.7133.95
6 D 126.90 126.9127.15
7 T 59.50 59.859.31
8 D 70.80 70.871.32
9 Q 35.38 35.935.8






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