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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 110.7 111.55110.7
2 S 153.4 152.4153.4
3 S 151.7 152.57151.7
4 S 106.1 108.38106.1
5 S 119.0 119.22119.0
7 S 142.5 143.03142.5
8 D 141.9 142.3141.9
9 S 119.0 119.5119.0
10 S 181.7 181.54181.7
11 S 134.5 135.33134.5
12 S 129.8 130.4129.8
13 D 107.1 108.31107.1
14 S 160.6 161.0160.95
15 D 121.3 121.5121.1
16 D 126.6 123.1126.6
17 Q 55.7 55.855.72
18 Q 55.7 55.4355.7
19 Q 34.0 34.8134.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 111.55 110.7110.7
2 S 152.40 153.4153.4
3 S 152.57 151.7151.7
4 S 108.38 106.1106.1
5 S 119.22 119.0119.0
6 S 130.06 135.65
7 S 143.03 142.5142.5
8 D 142.30 141.9141.9
9 D 119.50 119.0119.0
10 S 181.54 181.7181.7
11 S 135.33 134.5134.5
12 S 130.40 129.8129.8
13 D 108.31 107.1107.1
14 S 161.00 160.6160.95
15 D 121.50 121.3121.1
16 D 123.10 126.6126.6
17 Q 55.80 55.755.72
18 Q 55.43 55.755.7
19 Q 34.81 34.034.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 110.70 110.7111.55
2 S 153.40 153.4152.4
3 S 151.70 151.7152.57
4 S 106.10 106.1108.38
5 D 119.00 119.0119.22
6 S 135.65 130.06
7 S 142.50 142.5143.03
8 D 141.90 141.9142.3
9 D 119.00 119.0119.5
10 S 181.70 181.7181.54
11 S 134.50 134.5135.33
12 S 129.80 129.8130.4
13 D 107.10 107.1108.31
14 S 160.95 160.6161.0
15 D 121.10 121.3121.5
16 D 126.60 126.6123.1
17 Q 55.72 55.755.8
18 Q 55.70 55.755.43
19 Q 34.00 34.034.81






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