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This molecule with some stereoconfiguration:


General   NMReDATA_chemie koeln_Classics in Spectroscopy/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
dkfz spektren database
expt-1
chemie koeln;Classics in Spectroscopy;NMReDATA
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
1 D 149.3 149.8149.91149.32149.51
2 S 138.5 139.1138.64138.67138.76
3 D 137.4 134.4135.15134.9136.11
4 D 125.2 123.3123.35123.47124.39
5 D 148.7 148.8148.46148.38148.19
6 D 69.2 68.868.9468.5969.03
7 T 34.2 35.735.3434.934.84
8 T 22.6 22.822.5322.3722.67
9 T 57.1 56.956.8856.5857.09
10 Q 40.0 40.240.3539.9540.28





Spectral Data   Additional Data   Download  
Type: 13C 23
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
expt-1
chemie koeln;Classics in Spectroscopy;NMReDATA
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
1 D 149.8 0.578 149.3149.91149.32149.51
2 S 139.1 0.69 138.5138.64138.67138.76
3 D 134.4 0.533 137.4135.15134.9136.11
4 D 123.3 0.938 125.2123.35123.47124.39
5 D 148.8 0.873 148.7148.46148.38148.19
6 D 68.8 0.517 69.268.9468.5969.03
7 T 35.7 0.971 34.235.3434.934.84
8 T 22.8 1.0 22.622.5322.3722.67
9 T 56.9 0.875 57.156.8856.5857.09
10 Q 40.2 0.662 40.040.3539.9540.28





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
dkfz spektren database
expt-1
expt-2
chemie koeln;Classics in Spectroscopy;NMReDATA
Prediction 3
hose_lotusv7
1 D 149.32 149.8149.3149.91149.51
2 S 138.67 139.1138.5138.64138.76
3 D 134.90 134.4137.4135.15136.11
4 D 123.47 123.3125.2123.35124.39
5 D 148.38 148.8148.7148.46148.19
6 D 68.59 68.869.268.9469.03
7 T 34.90 35.734.235.3434.84
8 T 22.37 22.822.622.5322.67
9 T 56.58 56.957.156.8857.09
10 Q 39.95 40.240.040.3540.28





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
dkfz spektren database
expt-1
expt-2
chemie koeln;Classics in Spectroscopy;NMReDATA
Prediction 3
acd_lotusv7
1 D 149.51 149.8149.3149.91149.32
2 S 138.76 139.1138.5138.64138.67
3 D 136.11 134.4137.4135.15134.9
4 D 124.39 123.3125.2123.35123.47
5 D 148.19 148.8148.7148.46148.38
6 D 69.03 68.869.268.9468.59
7 T 34.84 35.734.235.3434.9
8 T 22.67 22.822.622.5322.37
9 T 57.09 56.957.156.8856.58
10 Q 40.28 40.240.040.3539.95






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