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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
2 S 166.74 164.8
4 D 96.60 95.3
6 D 74.54 70.83
7 T 63.42 62.68
9 S 168.30 167.88
11 S 125.82 125.7
12 D 107.90 112.34
13 S 145.92 147.4
15 S 136.98 135.19
17 S 144.56 147.08
19 S 115.65 121.04
20 S 115.85 121.04
21 S 126.32 125.7
22 D 108.08 112.34
23 S 145.92 147.4
25 S 136.92 135.19
27 S 144.30 147.08
29 S 168.89 169.54
32 D 71.04 68.54
33 D 74.70 73.21
35 S 166.70 165.61
37 S 120.90 121.5
38 D 110.10 110.6
39 S 146.00 146.6
41 S 139.20 139.9
43 S 146.00 146.6
45 D 110.10 110.6
46 D 71.90 69.92
48 S 120.65 124.0
49 D 110.89 109.48
50 S 146.00 145.34
52 S 140.55 139.9
54 S 146.00 145.34
56 D 110.89 109.48





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
2 S 164.80 166.74
4 D 95.30 96.6
6 D 70.83 74.54
7 T 62.68 63.42
9 S 167.88 168.3
11 S 125.70 125.82
12 D 112.34 107.9
13 S 147.40 145.92
15 S 135.19 136.98
17 S 147.08 144.56
19 S 121.04 115.65
20 S 121.04 115.85
21 S 125.70 126.32
22 D 112.34 108.08
23 S 147.40 145.92
25 S 135.19 136.92
27 S 147.08 144.3
29 S 169.54 168.89
32 D 68.54 71.04
33 D 73.21 74.7
35 S 165.61 166.7
37 S 121.50 120.9
38 D 110.60 110.1
39 S 146.60 146.0
41 S 139.90 139.2
43 S 146.60 146.0
45 D 110.60 110.1
46 D 69.92 71.9
48 S 124.00 120.65
49 D 109.48 110.89
50 S 145.34 146.0
52 S 139.90 140.55
54 S 145.34 146.0
56 D 109.48 110.89






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