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Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
expt-1
Speclib
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
1 S 170.6 170.7170.98171.79170.77
2 Q 21.0 20.921.0220.9320.98
3 T 60.3 60.460.660.7960.44
4 Q 14.2 14.414.4914.2314.36





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
2-H s 1.97
3-H q;q 4.10
4-H t 1.20





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
expt-1
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
1 S 170.98 170.7170.6171.79170.77
2 Q 21.02 20.921.020.9320.98
3 T 60.60 60.460.360.7960.44
4 Q 14.49 14.414.214.2314.36





Spectral Data   Additional Data   Download  
Type: 13C 23
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
expt-1
Speclib
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
1 S 170.7 0.379 170.6170.98171.79170.77
2 Q 20.9 0.533 21.021.0220.9320.98
3 T 60.4 0.915 60.360.660.7960.44
4 Q 14.4 1.0 14.214.4914.2314.36





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
dkfz spektren database
expt-1
expt-2
Speclib
Prediction 3
hose_lotusv7
1 S 171.79 170.7170.6170.98170.77
2 Q 20.93 20.921.021.0220.98
3 T 60.79 60.460.360.660.44
4 Q 14.23 14.414.214.4914.36





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
dkfz spektren database
expt-1
expt-2
Speclib
Prediction 3
acd_lotusv7
1 S 170.77 170.7170.6170.98171.79
2 Q 20.98 20.921.021.0220.93
3 T 60.44 60.460.360.660.79
4 Q 14.36 14.414.214.4914.23






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