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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 55.87 56.4
3 S 165.50 165.31
4 D 98.40 96.33
5 S 162.40 161.59
7 S 106.30 108.4
8 S 178.80 178.82
10 S 134.70 132.67
12 D 100.20 101.4
14 D 77.20 76.55
15 T 67.60 67.1
17 D 102.40 100.29
19 D 69.80 68.32
20 Q 18.00 18.2
21 D 74.10 71.85
23 D 72.40 70.69
25 D 72.10 70.36
27 D 71.30 71.4
29 D 78.20 76.65
31 D 84.00 81.5
33 D 106.20 106.2
35 D 75.80 73.6
36 T 64.47 62.9
38 S 168.80 166.98
40 D 115.90 116.29
41 D 147.10 145.1
42 S 126.60 126.1
43 D 106.90 105.0
44 S 149.50 147.66
46 Q 56.90 56.27
47 S 139.70 136.67
49 S 149.50 147.66
51 Q 56.90 56.27
52 D 106.90 105.0
53 D 70.94 69.9
55 D 77.93 75.9
57 D 76.10 74.1
59 S 157.80 158.86
60 S 120.97 121.11
61 D 130.90 130.94
62 D 115.30 115.18
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
63 S 161.70 160.12
65 D 115.30 115.18
66 D 130.90 130.94
68 S 157.30 157.41
69 D 92.30 92.34





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 56.40 55.87
3 S 165.31 165.5
4 D 96.33 98.4
5 S 161.59 162.4
7 S 108.40 106.3
8 S 178.82 178.8
10 S 132.67 134.7
12 D 101.40 100.2
14 D 76.55 77.2
15 T 67.10 67.6
17 D 100.29 102.4
19 D 68.32 69.8
20 Q 18.20 18.0
21 D 71.85 74.1
23 D 70.69 72.4
25 D 70.36 72.1
27 D 71.40 71.3
29 D 76.65 78.2
31 D 81.50 84.0
33 D 106.20 106.2
35 D 73.60 75.8
36 T 62.90 64.47
38 S 166.98 168.8
40 D 116.29 115.9
41 D 145.10 147.1
42 S 126.10 126.6
43 D 105.00 106.9
44 S 147.66 149.5
46 Q 56.27 56.9
47 S 136.67 139.7
49 S 147.66 149.5
51 Q 56.27 56.9
52 D 105.00 106.9
53 D 69.90 70.94
55 D 75.90 77.93
57 D 74.10 76.1
59 S 158.86 157.8
60 S 121.11 120.97
61 D 130.94 130.9
62 D 115.18 115.3
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
63 S 160.12 161.7
65 D 115.18 115.3
66 D 130.94 130.9
68 S 157.41 157.3
69 D 92.34 92.3






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