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This molecule with some stereoconfiguration:


General   NMReDATA_chemie koeln_Classics in Spectroscopy/Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO)  
Spectral Data   Additional Data   Download  
13C Spectrum
20201179 Rating: 10
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Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 109.22 104.0104.0
2 S 147.43 152.3152.3
3 S 183.32 179.3179.3
4 D 124.97 117.5117.5
5 S 150.83 158.9158.9
6 S 127.44 126.0126.0
7 T 36.49 39.239.2
8 S 79.45 74.274.2
9 S 155.58 151.5151.5
10 S 114.49 110.9110.9
11 T 72.73 72.972.9
12 S 157.80 157.7157.7
13 D 130.11 130.5130.5
14 D 102.41 102.8102.8
15 S 163.05 162.1162.1
16 D 109.71 110.8110.8





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 104.0 104.0109.22
2 S 152.3 152.3147.43
3 S 179.3 179.3183.32
4 D 117.5 117.5124.97
5 S 158.9 158.9150.83
6 S 126.0 126.0127.44
7 T 39.2 39.236.49
8 S 74.2 74.279.45
9 S 151.5 151.5155.58
10 S 110.9 110.9114.49
11 T 72.9 72.972.73
12 S 157.7 157.7157.8
13 D 130.5 130.5130.11
14 D 102.8 102.8102.41
15 S 162.1 162.1163.05
16 D 110.8 110.8109.71






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