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This molecule with other stereoconfigurations:


General   acd_lotusv7/   hose_lotusv7/  
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
acd_lotusv7
Prediction 3
hose_lotusv7
Prediction 4
hose_lotusv7
1 S 134.1 134.1134.47134.47134.1134.1
2 D 129.0 128.5128.93128.93128.79128.79
3 D 128.5 129.0129.1129.1128.71128.71
4 D 131.0 131.1130.97130.97128.45128.45
5 D 128.5 129.0129.1129.1128.71128.71
6 D 129.0 128.5128.93128.93128.79128.79
7 D 152.5 152.5152.62152.62152.5152.5
8 D 128.2 128.2129.31129.31128.2128.2
9 D 193.5 193.5193.57193.57193.44193.44





Spectral Data   Additional Data   Download  
Type: 13C 23
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
Prediction 1
acd_lotusv7
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
Prediction 4
hose_lotusv7
1 S 134.1 0.119 134.1134.47134.47134.1134.1
2 D 128.5 1.0 129.0128.93128.93128.79128.79
3 D 129.0 0.681 128.5129.1129.1128.71128.71
4 D 131.1 0.246 131.0130.97130.97128.45128.45
5 D 129.0 0.681 128.5129.1129.1128.71128.71
6 D 128.5 1.0 129.0128.93128.93128.79128.79
7 D 152.5 0.263 152.5152.62152.62152.5152.5
8 D 128.2 0.079 128.2129.31129.31128.2128.2
9 D 193.5 0.231 193.5193.57193.57193.44193.44






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