|
Search Results
|
|
|
|
You did not do a search!
|
|
|
|
|
|
|
|
Bookmarks
|
|
|
|
You could bookmark structures if you were logged in!
|
|
|
|
|
|
|
Details
|
|
|
|
This molecule with other stereoconfigurations:
Type: 13C 23
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
Intensity |
| Prediction 0 acd_lotusv7 | Prediction 1 hose_lotusv7 |
1
|
S |
180.5 |
0.124 |
| 180.18 | 174.7 |
2
|
T |
34.2 |
0.283 |
| 34.25 | 33.8 |
3
|
T |
24.8 |
0.283 |
| 24.76 | 25.63 |
4
|
T |
29.8 |
1.0 |
| 29.15 | 29.35 |
5
|
T |
29.8 |
1.0 |
| 29.2 | 28.8 |
6
|
T |
29.8 |
1.0 |
| 29.15 | 28.8 |
7
|
T |
29.8 |
1.0 |
| 29.76 | 29.25 |
8
|
T |
27.4 |
0.37 |
| 27.28 | 27.81 |
9
|
D |
130.0 |
0.271 |
| 129.71 | 130.07 |
10
|
D |
129.8 |
0.133 |
| 130.01 | 130.07 |
11
|
T |
27.4 |
0.37 |
| 27.3 | 27.81 |
12
|
T |
29.5 |
0.56 |
| 29.81 | 29.25 |
13
|
T |
29.5 |
0.56 |
| 29.42 | 29.5 |
14
|
T |
29.2 |
0.72 |
| 29.65 | 29.2 |
15
|
T |
29.2 |
0.72 |
| 29.43 | 29.25 |
16
|
T |
32.1 |
0.272 |
| 31.96 | 32.04 |
17
|
T |
22.8 |
0.146 |
| 22.78 | 22.15 |
18
|
Q |
14.1 |
0.146 |
| 14.22 | 13.97 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | Prediction 1 hose_lotusv7 |
1
|
S |
180.18 |
| 180.5 | 174.7 |
2
|
T |
34.25 |
| 34.2 | 33.8 |
3
|
T |
24.76 |
| 24.8 | 25.63 |
4
|
T |
29.15 |
| 29.8 | 29.35 |
5
|
T |
29.20 |
| 29.8 | 28.8 |
6
|
T |
29.15 |
| 29.8 | 28.8 |
7
|
T |
29.76 |
| 29.8 | 29.25 |
8
|
T |
27.28 |
| 27.4 | 27.81 |
9
|
D |
129.71 |
| 130.0 | 130.07 |
10
|
D |
130.01 |
| 129.8 | 130.07 |
11
|
T |
27.30 |
| 27.4 | 27.81 |
12
|
T |
29.81 |
| 29.5 | 29.25 |
13
|
T |
29.42 |
| 29.5 | 29.5 |
14
|
T |
29.65 |
| 29.2 | 29.2 |
15
|
T |
29.43 |
| 29.2 | 29.25 |
16
|
T |
31.96 |
| 32.1 | 32.04 |
17
|
T |
22.78 |
| 22.8 | 22.15 |
18
|
Q |
14.22 |
| 14.1 | 13.97 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | Prediction 1 acd_lotusv7 |
1
|
S |
174.70 |
| 180.5 | 180.18 |
2
|
T |
33.80 |
| 34.2 | 34.25 |
3
|
T |
25.63 |
| 24.8 | 24.76 |
4
|
T |
29.35 |
| 29.8 | 29.15 |
5
|
T |
28.80 |
| 29.8 | 29.2 |
6
|
T |
28.80 |
| 29.8 | 29.15 |
7
|
T |
29.25 |
| 29.8 | 29.76 |
8
|
T |
27.81 |
| 27.4 | 27.28 |
9
|
D |
130.07 |
| 130.0 | 129.71 |
10
|
D |
130.07 |
| 129.8 | 130.01 |
11
|
T |
27.81 |
| 27.4 | 27.3 |
12
|
T |
29.25 |
| 29.5 | 29.81 |
13
|
T |
29.50 |
| 29.5 | 29.42 |
14
|
T |
29.20 |
| 29.2 | 29.65 |
15
|
T |
29.25 |
| 29.2 | 29.43 |
16
|
T |
32.04 |
| 32.1 | 31.96 |
17
|
T |
22.15 |
| 22.8 | 22.78 |
18
|
Q |
13.97 |
| 14.1 | 14.22 |
|
|
Report incorrect data
Copy molecule link
|
|
|
|
|
|
|
|