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Details
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This molecule without stereoconfiguration: This molecule with other stereoconfigurations:
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 |
|
|
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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