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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 D 136.4 136.42136.4
2 D 123.2 123.23123.2
3 D 146.8 146.82146.8
4 D 151.9 150.06151.9
5 S 133.1 133.05133.1
6 Q 18.3 18.1918.3





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 136.42 136.4136.4
2 D 123.23 123.2123.2
3 D 146.82 146.8146.8
4 D 150.06 151.9151.9
5 S 133.05 133.1133.1
6 Q 18.19 18.318.3





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 136.4 136.4136.42
2 D 123.2 123.2123.23
3 D 146.8 146.8146.82
4 D 151.9 151.9150.06
5 S 133.1 133.1133.05
6 Q 18.3 18.318.19





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 7.457
2-H 7.161
3-H 8.420
4-H 8.440
6-H 2.320






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