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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 12.00 12.3
2 T 23.03 23.0
3 D 46.01 46.05
4 T 26.89 26.4
5 T 34.07 34.0
6 D 36.26 36.3
7 Q 18.71 18.8
8 D 56.15 56.1
9 T 28.75 28.3
10 T 24.73 24.3
11 D 53.30 56.9
12 D 34.42 32.3
13 T 31.88 32.0
14 D 122.08 121.99
15 S 140.48 140.68
16 T 39.00 39.1
17 D 79.49 78.4
19 D 97.30 103.0
21 D 68.00 73.7
22 T 63.94 63.5
24 S 170.95 170.1
25 Q 20.90 20.4
27 D 68.80 69.65
29 D 71.10 76.17
31 D 69.40 75.1
33 T 30.63 30.0
34 T 36.46 37.49
35 S 37.57 37.08
36 Q 23.91 19.5
37 D 50.54 50.5
38 T 21.17 21.2
39 T 36.28 40.0
40 S 42.35 42.3
41 Q 11.93 12.0
42 D 29.61 28.95
43 Q 19.68 19.2
44 Q 18.96 19.2





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 12.30 12.0
2 T 23.00 23.03
3 D 46.05 46.01
4 T 26.40 26.89
5 T 34.00 34.07
6 D 36.30 36.26
7 Q 18.80 18.71
8 D 56.10 56.15
9 T 28.30 28.75
10 T 24.30 24.73
11 D 56.90 53.3
12 D 32.30 34.42
13 T 32.00 31.88
14 D 121.99 122.08
15 S 140.68 140.48
16 T 39.10 39.0
17 D 78.40 79.49
19 D 103.00 97.3
21 D 73.70 68.0
22 T 63.50 63.94
24 S 170.10 170.95
25 Q 20.40 20.9
27 D 69.65 68.8
29 D 76.17 71.1
31 D 75.10 69.4
33 T 30.00 30.63
34 T 37.49 36.46
35 S 37.08 37.57
36 Q 19.50 23.91
37 D 50.50 50.54
38 T 21.20 21.17
39 T 40.00 36.28
40 S 42.30 42.35
41 Q 12.00 11.93
42 D 28.95 29.61
43 Q 19.20 19.68
44 Q 19.20 18.96






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