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Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 D 133.8 133.3133.8
2 D 105.0 104.17105.0
3 S 164.0 163.93164.0
4 S 160.8 161.5160.8
5 S 112.5 113.51112.5
6 S 166.5 166.47166.5
7 D 98.7 97.9598.7
8 Q 55.4 55.5155.54
9 Q 55.8 56.055.8





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 133.30 133.8133.8
2 D 104.17 105.0105.0
3 S 163.93 164.0164.0
4 S 161.50 160.8160.8
5 S 113.51 112.5112.5
6 S 166.47 166.5166.5
7 D 97.95 98.798.7
8 Q 55.51 55.455.54
9 Q 56.00 55.855.8





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 133.80 133.8133.3
2 D 105.00 105.0104.17
3 S 164.00 164.0163.93
4 S 160.80 160.8161.5
5 S 112.50 112.5113.51
6 S 166.50 166.5166.47
7 D 98.70 98.797.95
8 Q 55.54 55.455.51
9 Q 55.80 55.856.0






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