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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
dkfz spektren database
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 D 31.9 31.730.0931.81
2 T 45.6 45.143.045.39
3 D 70.9 71.370.0371.07
4 D 50.4 50.149.2950.27
5 T 23.5 23.222.6723.37
6 T 35.0 34.633.334.83
7 Q 22.3 22.221.4622.26
8 D 25.8 25.726.2725.76
9 Q 21.0 16.120.9918.54
10 Q 16.0 21.117.9618.54





Spectral Data   Additional Data   Download  
1H Spectrum
20000700 Rating: 10
Type1H
Measurement conditions
Temperature [K]Unreported
SolventChloroform-D1 (CDCl3)
Field Strength [MHz]500
Assignment MethodMultiplicity edited HSQC
Literature
Additional comments
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 D 31.7 0.941 31.930.0931.81
2 T 45.1 0.865 45.643.045.39
3 D 71.3 0.852 70.970.0371.07
4 D 50.1 0.817 50.449.2950.27
5 T 23.2 0.686 23.522.6723.37
6 T 34.6 0.867 35.033.334.83
7 Q 22.2 0.937 22.321.4622.26
8 D 25.7 0.825 25.826.2725.76
9 Q 16.1 0.948 21.020.9918.54
10 Q 21.1 1.0 16.017.9618.54





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
dkfz spektren database
expt-1
Prediction 2
hose_lotusv7
1 D 30.09 31.731.931.81
2 T 43.00 45.145.645.39
3 D 70.03 71.370.971.07
4 D 49.29 50.150.450.27
5 T 22.67 23.223.523.37
6 T 33.30 34.635.034.83
7 Q 21.46 22.222.322.26
8 D 26.27 25.725.825.76
9 Q 20.99 16.121.018.54
10 Q 17.96 21.116.018.54





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
dkfz spektren database
expt-1
Prediction 2
acd_lotusv7
1 D 31.81 31.731.930.09
2 T 45.39 45.145.643.0
3 D 71.07 71.370.970.03
4 D 50.27 50.150.449.29
5 T 23.37 23.223.522.67
6 T 34.83 34.635.033.3
7 Q 22.26 22.222.321.46
8 D 25.76 25.725.826.27
9 Q 18.54 16.121.020.99
10 Q 18.54 21.116.017.96






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