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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 T 32.8 32.3732.8
2 D 130.8 130.2130.8
3 D 130.8 130.2130.8
4 T 32.8 32.3732.8
5 T 23.3 22.8723.3





Spectral Data   Additional Data   Download  
Type: 1H 60
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 2.29
2-H 5.66
3-H 5.66
4-H 2.29
5-H 1.85





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 T 32.37 32.832.8
2 D 130.20 130.8130.8
3 D 130.20 130.8130.8
4 T 32.37 32.832.8
5 T 22.87 23.323.3





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 T 32.8 32.832.37
2 D 130.8 130.8130.2
3 D 130.8 130.8130.2
4 T 32.8 32.832.37
5 T 23.3 23.322.87






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