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This molecule with other stereoconfigurations:
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 hose_lotusv7 |
1
|
Q |
12.56 |
| 9.62 |
2
|
S |
118.61 |
| 120.55 |
3
|
S |
164.05 |
| 141.84 |
4
|
T |
29.18 |
| 29.6 |
5
|
T |
41.09 |
| 40.3 |
6
|
S |
45.46 |
| 37.86 |
7
|
Q |
24.26 |
| 22.98 |
8
|
T |
39.23 |
| 34.7 |
9
|
T |
32.97 |
| 35.04 |
10
|
S |
154.82 |
| 157.49 |
11
|
Q |
25.57 |
| 25.96 |
12
|
D |
125.01 |
| 132.0 |
13
|
S |
201.86 |
| 200.65 |
15
|
T |
50.36 |
| 47.8 |
16
|
D |
26.92 |
| 27.7 |
17
|
Q |
20.73 |
| 21.1 |
18
|
T |
42.83 |
| 35.18 |
19
|
D |
73.98 |
| 77.45 |
21
|
S |
167.15 |
| 166.14 |
23
|
D |
54.79 |
| 47.91 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| Prediction 0 acd_lotusv7 |
1
|
Q |
9.62 |
| 12.56 |
2
|
S |
120.55 |
| 118.61 |
3
|
S |
141.84 |
| 164.05 |
4
|
T |
29.60 |
| 29.18 |
5
|
T |
40.30 |
| 41.09 |
6
|
S |
37.86 |
| 45.46 |
7
|
Q |
22.98 |
| 24.26 |
8
|
T |
34.70 |
| 39.23 |
9
|
T |
35.04 |
| 32.97 |
10
|
S |
157.49 |
| 154.82 |
11
|
Q |
25.96 |
| 25.57 |
12
|
D |
132.00 |
| 125.01 |
13
|
S |
200.65 |
| 201.86 |
15
|
T |
47.80 |
| 50.36 |
16
|
D |
27.70 |
| 26.92 |
17
|
Q |
21.10 |
| 20.73 |
18
|
T |
35.18 |
| 42.83 |
19
|
D |
77.45 |
| 73.98 |
21
|
S |
166.14 |
| 167.15 |
23
|
D |
47.91 |
| 54.79 |
|
Double click upper part to get resizeable window!
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