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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 T 58.4 57.457.4957.97
2 Q 16.4 18.618.0517.34





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H t;t 3.7
2-H q;q;q 1.2
3-H





Spectral Data   Additional Data   Download  
Type: 17O 300
Atom
Mult.(coupling const.)
Meas.
Shift
3 D 5.0





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 T 57.4 1.0 58.457.4957.97
2 Q 18.6 0.78 16.418.0517.34





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 T 57.49 57.458.457.97
2 Q 18.05 18.616.417.34





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 T 57.97 57.458.457.49
2 Q 17.34 18.616.418.05






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