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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Speclib
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 S 175.0 174.47176.5174.41
2 D 60.9 59.9259.560.41
3 D 37.1 36.136.936.6
4 T 25.6 24.7624.625.18
5 Q 12.2 11.5311.1411.87
12 Q 15.9 14.9315.015.41





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 S 174.47 175.0176.5174.41
2 D 59.92 60.959.560.41
3 D 36.10 37.136.936.6
4 T 24.76 25.624.625.18
5 Q 11.53 12.211.1411.87
12 Q 14.93 15.915.015.41





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
expt-1
Speclib
Prediction 2
hose_lotusv7
1 S 176.50 175.0174.47174.41
2 D 59.50 60.959.9260.41
3 D 36.90 37.136.136.6
4 T 24.60 25.624.7625.18
5 Q 11.14 12.211.5311.87
12 Q 15.00 15.914.9315.41





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
expt-1
Speclib
Prediction 2
acd_lotusv7
1 S 174.41 175.0174.47176.5
2 D 60.41 60.959.9259.5
3 D 36.60 37.136.136.9
4 T 25.18 25.624.7624.6
5 Q 11.87 12.211.5311.14
12 Q 15.41 15.914.9315.0






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