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General   ocmainz inhouse database/Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO)  
Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
ocmainz inhouse database
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 T 34.85 34.934.0934.9
2 S 43.21 43.243.6743.2
3 S 71.73 71.772.5871.7
4 S 128.61 128.6127.78128.6
5 S 136.28 136.3139.16136.3
6 D 36.23 36.237.3836.2
7 S 46.07 46.152.6946.1
8 T 44.00 44.043.1844.0
9 T 40.70 40.741.7140.7
10 T 21.57 21.621.7321.6
11 T 33.43 33.433.9833.4
12 Q 25.05 25.120.0625.1
13 S 179.16 179.2183.27179.2
14 Q 13.05 13.114.0913.1
15 Q 23.77 23.824.8823.8





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse database
expt-1
ocmainz inhouse database
Prediction 2
hose_lotusv7
1 T 34.09 34.934.8534.9
2 S 43.67 43.243.2143.2
3 S 72.58 71.771.7371.7
4 S 127.78 128.6128.61128.6
5 S 139.16 136.3136.28136.3
6 D 37.38 36.236.2336.2
7 S 52.69 46.146.0746.1
8 T 43.18 44.044.044.0
9 T 41.71 40.740.740.7
10 T 21.73 21.621.5721.6
11 T 33.98 33.433.4333.4
12 Q 20.06 25.125.0525.1
13 S 183.27 179.2179.16179.2
14 Q 14.09 13.113.0513.1
15 Q 24.88 23.823.7723.8





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse database
expt-1
ocmainz inhouse database
Prediction 2
acd_lotusv7
1 T 34.9 34.934.8534.09
2 S 43.2 43.243.2143.67
3 S 71.7 71.771.7372.58
4 S 128.6 128.6128.61127.78
5 S 136.3 136.3136.28139.16
6 D 36.2 36.236.2337.38
7 S 46.1 46.146.0752.69
8 T 44.0 44.044.043.18
9 T 40.7 40.740.741.71
10 T 21.6 21.621.5721.73
11 T 33.4 33.433.4333.98
12 Q 25.1 25.125.0520.06
13 S 179.2 179.2179.16183.27
14 Q 13.1 13.113.0514.09
15 Q 23.8 23.823.7724.88






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