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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
2 D 64.7 64.2364.7
3 Q 26.5 25.1126.5
4 Q 26.5 25.1126.5




Spectral Data   Additional Data   Download  
Type: 1H 300.1
Atom
Mult.(coupling const.)
Meas.
Shift
1-H
2-H 4.04
3-H 1.22
4-H 1.22




Spectral Data   Additional Data   Download  
Type: 17O 300
Atom
Mult.(coupling const.)
Meas.
Shift
1 D 38.0




Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
2 D 64.23 64.764.7
3 Q 25.11 26.526.5
4 Q 25.11 26.526.5




Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
2 D 64.7 64.764.23
3 Q 26.5 26.525.11
4 Q 26.5 26.525.11





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