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Spectral Data   Additional Data   Download  
13C Spectrum
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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 S 155.56 155.0155.0
2 S 116.56 116.2116.2
3 S 143.05 139.5139.5
5 S 160.49 161.0161.0
6 S 106.72 106.2106.2
7 D 122.50 123.0123.0
8 D 123.17 122.0122.0
9 D 131.80 131.0130.99
10 D 113.44 114.0114.0
11 D 117.41 117.9117.9
12 D 126.34 125.5125.5
13 S 79.34 78.878.8
16 Q 29.53 28.228.2
17 Q 27.30 29.228.73
18 Q 29.30 29.228.73





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 S 155.00 155.0155.56
2 S 116.20 116.2116.56
3 S 139.50 139.5143.05
5 S 161.00 161.0160.49
6 S 106.20 106.2106.72
7 D 123.00 123.0122.5
8 D 122.00 122.0123.17
9 D 130.99 131.0131.8
10 D 114.00 114.0113.44
11 D 117.90 117.9117.41
12 D 125.50 125.5126.34
13 S 78.80 78.879.34
16 Q 28.20 28.229.53
17 Q 28.73 29.227.3
18 Q 28.73 29.229.3






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