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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 S 169.2 170.0169.6170.0
2 T 40.9 43.142.043.1
3 S 169.2 170.0169.6170.0





Spectral Data   Additional Data   Download  
Type: 1H 60
Atom
Mult.(coupling const.)
Meas.
Shift
2-H 3.22
6-H
7-H





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 S 170.0 0.926 169.2169.6170.0
2 T 43.1 1.0 40.942.043.1
3 S 170.0 0.926 169.2169.6170.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
dkfz spektren database
expt-1
Prediction 2
hose_lotusv7
1 S 169.6 170.0169.2170.0
2 T 42.0 43.140.943.1
3 S 169.6 170.0169.2170.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
dkfz spektren database
expt-1
Prediction 2
acd_lotusv7
1 S 170.0 170.0169.2169.6
2 T 43.1 43.140.942.0
3 S 170.0 170.0169.2169.6






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