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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 Q 10.8 11.1410.8
2 T 24.2 24.624.2
3 D 35.5 36.935.5
4 Q 14.2 15.015.01
5 D 58.6 59.558.6
6 S 173.1 176.5173.1





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 Q 11.14 10.810.8
2 T 24.60 24.224.2
3 D 36.90 35.535.5
4 Q 15.00 14.215.01
5 D 59.50 58.658.6
6 S 176.50 173.1173.1





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 Q 10.80 10.811.14
2 T 24.20 24.224.6
3 D 35.50 35.536.9
4 Q 15.01 14.215.0
5 D 58.60 58.659.5
6 S 173.10 173.1176.5






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