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Spectral Data   Additional Data   Download  
Type: 13C 100.0 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
18 Q 29.2 29.328.73
17 Q 29.2 27.328.73
16 Q 28.2 29.5328.2
13 S 78.8 79.3478.8
12 D 125.5 126.34125.5
11 D 117.9 117.41117.9
10 D 114.0 113.44114.0
9 D 131.0 131.8130.99
8 D 122.0 123.17122.0
7 D 123.0 122.5123.0
6 S 106.2 106.72106.2
5 S 161.0 160.49161.0
3 S 139.5 143.05139.5
2 S 116.2 116.56116.2
1 S 155.0 155.56155.0

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Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
18 Q 29.30 29.228.73
17 Q 27.30 29.228.73
16 Q 29.53 28.228.2
13 S 79.34 78.878.8
12 D 126.34 125.5125.5
11 D 117.41 117.9117.9
10 D 113.44 114.0114.0
9 D 131.80 131.0130.99
8 D 123.17 122.0122.0
7 D 122.50 123.0123.0
6 S 106.72 106.2106.2
5 S 160.49 161.0161.0
3 S 143.05 139.5139.5
2 S 116.56 116.2116.2
1 S 155.56 155.0155.0

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

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