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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C Unreported Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 D 133.81 133.88133.81
2 D 128.47 129.03128.47
3 D 130.21 130.23130.21
4 S 129.34 130.54129.34
5 D 130.21 130.23130.21
6 D 128.47 129.03128.47
7 S 172.54 168.92172.54

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse database
Prediction 1
hose_lotusv7
1 D 133.88 133.81133.81
2 D 129.03 128.47128.47
3 D 130.23 130.21130.21
4 S 130.54 129.34129.34
5 D 130.23 130.21130.21
6 D 129.03 128.47128.47
7 S 168.92 172.54172.54

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse database
Prediction 1
acd_lotusv7
1 D 133.81 133.81133.88
2 D 128.47 128.47129.03
3 D 130.21 130.21130.23
4 S 129.34 129.34130.54
5 D 130.21 130.21130.23
6 D 128.47 128.47129.03
7 S 172.54 172.54168.92

Double click upper part to get resizeable window!




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