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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
1 Q 56.02 55.99
3 S 146.80 149.0
4 D 110.10 111.7
5 S 132.77 133.9
6 D 72.64 74.4
8 D 87.17 87.6
9 T 60.47 62.1
12 S 135.00 139.05
13 S 153.58 151.84
15 Q 56.50 56.3
16 D 103.41 102.79
17 S 138.30 132.9
18 D 84.96 82.0
20 T 69.75 71.44
21 D 54.66 50.1
22 D 84.96 82.0
23 S 138.30 132.9
24 D 103.41 102.79
25 S 153.58 151.84
27 Q 56.50 56.3
28 S 135.00 139.05
30 D 87.17 87.6
31 T 60.47 62.1
33 D 72.64 74.4
35 S 132.77 133.9
36 D 119.41 121.0
37 D 114.70 115.75
38 S 146.11 147.95
40 S 146.80 149.0
42 Q 56.02 55.99
43 D 110.10 111.7
44 S 153.58 151.84
46 Q 56.50 56.3
47 D 103.41 102.79
49 T 69.75 71.44
50 D 54.66 50.1
51 D 103.41 102.79
52 S 153.58 151.84
54 Q 56.50 56.3
55 D 119.41 121.0
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
56 D 114.70 115.75
57 S 146.11 147.95





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 55.99 56.02
3 S 149.00 146.8
4 D 111.70 110.1
5 S 133.90 132.77
6 D 74.40 72.64
8 D 87.60 87.17
9 T 62.10 60.47
12 S 139.05 135.0
13 S 151.84 153.58
15 Q 56.30 56.5
16 D 102.79 103.41
17 S 132.90 138.3
18 D 82.00 84.96
20 T 71.44 69.75
21 D 50.10 54.66
22 D 82.00 84.96
23 S 132.90 138.3
24 D 102.79 103.41
25 S 151.84 153.58
27 Q 56.30 56.5
28 S 139.05 135.0
30 D 87.60 87.17
31 T 62.10 60.47
33 D 74.40 72.64
35 S 133.90 132.77
36 D 121.00 119.41
37 D 115.75 114.7
38 S 147.95 146.11
40 S 149.00 146.8
42 Q 55.99 56.02
43 D 111.70 110.1
44 S 151.84 153.58
46 Q 56.30 56.5
47 D 102.79 103.41
49 T 71.44 69.75
50 D 50.10 54.66
51 D 102.79 103.41
52 S 151.84 153.58
54 Q 56.30 56.5
55 D 121.00 119.41
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
56 D 115.75 114.7
57 S 147.95 146.11






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