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Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 S 131.7 131.9131.63131.79
2 S 152.5 152.5152.21152.5
3 D 116.3 116.4116.21116.34
4 S 136.6 136.5136.59136.56
5 D 121.9 122.0121.83121.94
6 D 126.3 126.3126.28126.3
7 Q 20.8 20.820.820.8
8 D 26.7 26.726.7126.7
9 Q 22.7 22.722.6822.7
10 Q 22.7 22.722.6822.7





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 S 131.9 0.333 131.7131.63131.79
2 S 152.5 0.476 152.5152.21152.5
3 D 116.4 0.423 116.3116.21116.34
4 S 136.5 0.311 136.6136.59136.56
5 D 122.0 0.357 121.9121.83121.94
6 D 126.3 0.476 126.3126.28126.3
7 Q 20.8 0.301 20.820.820.8
8 D 26.7 0.567 26.726.7126.7
9 Q 22.7 1.0 22.722.6822.7
10 Q 22.7 1.0 22.722.6822.7





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
dkfz spektren database
expt-1
ocmainz inhouse-2
Prediction 2
hose_lotusv7
1 S 131.63 131.9131.7131.79
2 S 152.21 152.5152.5152.5
3 D 116.21 116.4116.3116.34
4 S 136.59 136.5136.6136.56
5 D 121.83 122.0121.9121.94
6 D 126.28 126.3126.3126.3
7 Q 20.80 20.820.820.8
8 D 26.71 26.726.726.7
9 Q 22.68 22.722.722.7
10 Q 22.68 22.722.722.7





Spectral Data   Additional Data   Download  
13C Spectrum
70148168 Rating: 10
Type13C
Prediction conditions
ProgramHOSE code using nmrshiftdb2 data
Literature
Additional commentsSMILES_ID: Q408883_2850; multplicities generated from proton count
Additional information
Spectrum categorieshose_lotusv7




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