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Spectral Data   Additional Data   Download  
Type: 13C 23
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 T 60.6 0.474 60.2960.6
2 T 41.9 0.474 41.4741.9
3 D 25.0 0.427 24.6125.0
4 Q 22.7 1.0 22.3322.7
5 Q 22.7 1.0 22.3322.7





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
dkfz spektren database
Prediction 1
hose_lotusv7
1 T 60.29 60.660.6
2 T 41.47 41.941.9
3 D 24.61 25.025.0
4 Q 22.33 22.722.7
5 Q 22.33 22.722.7





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
dkfz spektren database
Prediction 1
acd_lotusv7
1 T 60.6 60.660.29
2 T 41.9 41.941.47
3 D 25.0 25.024.61
4 Q 22.7 22.722.33
5 Q 22.7 22.722.33





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 3.673
2-H 1.490
3-H 1.660
4-H 0.922
5-H 0.922
6-H 1.570






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