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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 S 155.2 156.99155.2
2 D 115.4 115.7115.4
3 D 129.7 129.87129.7
4 D 120.9 120.13120.9
5 D 129.7 129.87129.7
6 D 115.4 115.7115.4

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Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 S 156.99 155.2155.2
2 D 115.70 115.4115.4
3 D 129.87 129.7129.7
4 D 120.13 120.9120.9
5 D 129.87 129.7129.7
6 D 115.70 115.4115.4

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-2
Prediction 1
acd_lotusv7
1 S 155.2 155.2156.99
2 D 115.4 115.4115.7
3 D 129.7 129.7129.87
4 D 120.9 120.9120.13
5 D 129.7 129.7129.87
6 D 115.4 115.4115.7

Double click upper part to get resizeable window!




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