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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 S 171.3 172.1171.3
3 T 52.0 50.252.0
5 Q 33.9 33.633.9





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
2 S 172.1 171.3171.3
3 T 50.2 52.052.0
5 Q 33.6 33.933.9





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
2 S 171.3 171.3172.1
3 T 52.0 52.050.2
5 Q 33.9 33.933.6





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
3-H 3.086
4-H
5-H 2.444
7-H






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