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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 21.46 20.45
2 S 170.44 169.75
5 T 60.16 60.45
6 S 52.69 52.75
7 D 71.50 70.9
9 S 168.96 169.05
10 Q 19.96 21.15
12 D 69.05 68.9
14 S 170.02 165.1
15 Q 21.03 20.5
17 D 50.58 50.4
18 D 73.97 73.8
20 S 169.96 170.1
21 Q 21.72 21.6
23 S 94.21 94.3
25 S 84.47 83.9
26 Q 18.53 18.5
27 T 70.07 69.9
29 S 168.60 168.5
31 S 125.19 125.4
32 D 137.84 137.6
33 D 121.19 121.1
34 D 151.62 151.3
36 S 164.64 164.9
37 D 36.66 36.4
38 Q 12.06 11.9
39 D 45.04 45.0
40 Q 9.90 9.3
41 S 174.09 174.45
44 D 75.78 75.2
45 D 69.32 68.4
47 S 168.31 171.2
48 Q 21.04 21.1
50 D 73.60 71.6
52 S 165.46 165.23
54 S 129.29 130.87
55 D 129.61 129.51
56 D 128.60 128.71
57 D 133.55 133.38
58 D 128.60 128.71
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
59 D 129.61 129.51
60 S 70.70 70.2
61 Q 23.00 23.17





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 20.45 21.46
2 S 169.75 170.44
5 T 60.45 60.16
6 S 52.75 52.69
7 D 70.90 71.5
9 S 169.05 168.96
10 Q 21.15 19.96
12 D 68.90 69.05
14 S 165.10 170.02
15 Q 20.50 21.03
17 D 50.40 50.58
18 D 73.80 73.97
20 S 170.10 169.96
21 Q 21.60 21.72
23 S 94.30 94.21
25 S 83.90 84.47
26 Q 18.50 18.53
27 T 69.90 70.07
29 S 168.50 168.6
31 S 125.40 125.19
32 D 137.60 137.84
33 D 121.10 121.19
34 D 151.30 151.62
36 S 164.90 164.64
37 D 36.40 36.66
38 Q 11.90 12.06
39 D 45.00 45.04
40 Q 9.30 9.9
41 S 174.45 174.09
44 D 75.20 75.78
45 D 68.40 69.32
47 S 171.20 168.31
48 Q 21.10 21.04
50 D 71.60 73.6
52 S 165.23 165.46
54 S 130.87 129.29
55 D 129.51 129.61
56 D 128.71 128.6
57 D 133.38 133.55
58 D 128.71 128.6
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
59 D 129.51 129.61
60 S 70.20 70.7
61 Q 23.17 23.0






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