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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 T 67.9 68.0467.9
3 T 25.8 25.8625.8
4 T 25.8 25.8625.8
5 T 67.9 68.0467.9





Spectral Data   Additional Data   Download  
Type: 1H 300.1
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
2-H 3.57 3.7
3-H 1.40 1.82
4-H 1.40 1.82
5-H 3.57 3.7





Spectral Data   Additional Data   Download  
Type: 1H 60
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
2-H 3.70 3.57
3-H 1.82 1.4
4-H 1.82 1.4
5-H 3.70 3.57





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
2 T 68.04 67.967.9
3 T 25.86 25.825.8
4 T 25.86 25.825.8
5 T 68.04 67.967.9





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
2 T 67.9 67.968.04
3 T 25.8 25.825.86
4 T 25.8 25.825.86
5 T 67.9 67.968.04






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