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Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Speclib
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 Q 13.1 13.7614.0213.43
2 T 24.9 22.6322.7923.77
3 T 34.1 34.4634.4734.28
4 T 24.9 22.6322.7923.77
5 Q 13.1 13.7614.0213.43





Spectral Data   Additional Data   Download  
Type: 1H 60
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 0.89
2-H 1.25
3-H 1.25
4-H 1.25
5-H 0.89





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 Q 13.76 13.114.0213.43
2 T 22.63 24.922.7923.77
3 T 34.46 34.134.4734.28
4 T 22.63 24.922.7923.77
5 Q 13.76 13.114.0213.43





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Speclib
expt-1
Prediction 2
hose_lotusv7
1 Q 14.02 13.7613.113.43
2 T 22.79 22.6324.923.77
3 T 34.47 34.4634.134.28
4 T 22.79 22.6324.923.77
5 Q 14.02 13.7613.113.43





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Speclib
expt-1
Prediction 2
acd_lotusv7
1 Q 13.43 13.7613.114.02
2 T 23.77 22.6324.922.79
3 T 34.28 34.4634.134.47
4 T 23.77 22.6324.922.79
5 Q 13.43 13.7613.114.02






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