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Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 D 99.7
2 D 124.4 164.82158.9
3 S 155.7
4 S 128.0 133.86139.8
5 S 121.9 118.82114.55
6 S 138.9 131.11123.33
7 S 124.2 135.12137.92
8 D 121.2
9 D 112.4 140.62140.44
10 D 126.2 112.18111.82
11 D 119.4 127.32127.56





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
2 S 164.82 124.4158.9
4 D 133.86 128.0139.8
5 D 118.82 121.9114.55
6 S 131.11 138.9123.33
7 S 135.12 124.2137.92
9 S 140.62 112.4140.44
10 D 112.18 126.2111.82
11 D 127.32 119.4127.56
12 D 119.73 120.02
13 D 121.42 121.6
14 S 118.66 120.65





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
2 S 158.90 124.4164.82
4 D 139.80 128.0133.86
5 D 114.55 121.9118.82
6 S 123.33 138.9131.11
7 S 137.92 124.2135.12
9 S 140.44 112.4140.62
10 D 111.82 126.2112.18
11 D 127.56 119.4127.32
12 D 120.02 119.73
13 D 121.60 121.42
14 S 120.65 118.66






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