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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 D 97.00 97.2192.65
2 D 75.24 75.572.84
3 D 76.91 77.1673.55
4 D 70.71 70.9670.71
5 D 77.01 77.1672.41
6 T 61.85 62.0661.85





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Speclib
Prediction 1
hose_lotusv7
1 D 97.21 97.092.65
2 D 75.50 75.2472.84
3 D 77.16 76.9173.55
4 D 70.96 70.7170.71
5 D 77.16 77.0172.41
6 T 62.06 61.8561.85





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Speclib
Prediction 1
acd_lotusv7
1 D 92.65 97.097.21
2 D 72.84 75.2475.5
3 D 73.55 76.9177.16
4 D 70.71 70.7170.96
5 D 72.41 77.0177.16
6 T 61.85 61.8562.06






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