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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
2 S 146.8
3 S 106.3 36.8338.7
4 S 119.9 157.03159.38
5 S 139.5
6 D 122.5 140.95136.41
7 D 118.8 105.81139.27
8 D 125.7 130.27121.45
9 D 110.5 125.4123.73
11 S 147.1 130.92133.06
12 S 128.6 115.15123.91
13 S 134.1 154.25154.99
15 S 159.8 169.92152.2
17 S 190.5 121.97144.47
21 Q 39.5 130.67129.22
22 Q 39.5 114.5115.46
24 S 128.2
25 D 133.4 114.5115.46
26 D 114.9 130.67129.22
27 S 164.8 141.66136.41
28 D 114.9
29 D 133.4





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 Q 36.83 38.7
3 Q 36.83 106.338.7
4 S 157.03 119.9159.38
6 S 140.95 122.5136.41
7 S 105.81 118.8139.27
8 S 130.27 125.7121.45
9 D 125.40 110.5123.73
10 D 119.69 121.97
11 D 130.92 147.1133.06
12 D 115.15 128.6123.91
13 S 154.25 134.1154.99
15 S 169.92 159.8152.2
17 S 121.97 190.5144.47
21 D 130.67 39.5129.22
22 D 114.50 39.5115.46
23 S 162.91 162.59
25 D 114.50 133.4115.46
26 D 130.67 114.9129.22
27 S 141.66 164.8136.41





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 Q 38.70 36.83
3 Q 38.70 106.336.83
4 S 159.38 119.9157.03
6 S 136.41 122.5140.95
7 S 139.27 118.8105.81
8 S 121.45 125.7130.27
9 D 123.73 110.5125.4
10 D 121.97 119.69
11 D 133.06 147.1130.92
12 D 123.91 128.6115.15
13 S 154.99 134.1154.25
15 S 152.20 159.8169.92
17 S 144.47 190.5121.97
21 D 129.22 39.5130.67
22 D 115.46 39.5114.5
23 S 162.59 162.91
25 D 115.46 133.4114.5
26 D 129.22 114.9130.67
27 S 136.41 164.8141.66






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