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Spectral Data   Additional Data   Download  
Type: 1H 60
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 7.1
2-H 6.9
3-H 6.9
4-H 7.1





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 D 125.6 125.44125.6
2 D 127.3 127.14127.3
3 D 127.3 127.14127.3
4 D 125.6 125.44125.6





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 125.44 125.6125.6
2 D 127.14 127.3127.3
3 D 127.14 127.3127.3
4 D 125.44 125.6125.6





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 125.6 125.6125.44
2 D 127.3 127.3127.14
3 D 127.3 127.3127.14
4 D 125.6 125.6125.44






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