|
Search Results
|
|
|
|
You did not do a search!
|
|
|
|
|
|
|
|
Bookmarks
|
|
|
|
You could bookmark structures if you were logged in!
|
|
|
|
|
|
|
Details
|
|
|
|
Type: 13C 125 Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| Prediction 0 acd_lotusv7 | Prediction 1 hose_lotusv7 |
38
|
D |
82.0 |
| 81.15 | 82.0 |
36
|
D |
87.5 |
| 84.56 | 87.5 |
34
|
D |
76.5 |
| 77.7 | 76.5 |
31
|
Q |
26.2 |
| 22.95 | 24.2 |
30
|
Q |
22.2 |
| 25.15 | 24.2 |
29
|
S |
215.0 |
| 216.37 | 215.0 |
28
|
S |
82.5 |
| 83.06 | 82.5 |
27
|
T |
35.6 |
| 36.51 | 35.6 |
25
|
T |
31.2 |
| 31.3 | 31.2 |
24
|
Q |
15.9 |
| 15.75 | 15.9 |
23
|
Q |
19.7 |
| 18.7 | 19.7 |
22
|
S |
48.6 |
| 48.86 | 48.6 |
21
|
T |
28.7 |
| 28.32 | 28.7 |
20
|
T |
27.5 |
| 26.43 | 27.5 |
19
|
Q |
15.2 |
| 19.28 | 15.2 |
18
|
S |
48.9 |
| 47.89 | 48.9 |
17
|
Q |
18.2 |
| 17.83 | 18.2 |
15
|
Q |
20.5 |
| 20.81 | 23.7 |
14
|
Q |
26.9 |
| 25.51 | 23.7 |
13
|
S |
217.9 |
| 217.83 | 217.9 |
12
|
T |
34.8 |
| 35.67 | 34.8 |
11
|
S |
81.5 |
| 81.63 | 81.5 |
10
|
T |
31.8 |
| 31.57 | 31.8 |
8
|
S |
45.3 |
| 46.5 | 45.3 |
7
|
T |
28.6 |
| 28.61 | 28.6 |
6
|
T |
30.2 |
| 30.34 | 30.2 |
5
|
D |
35.7 |
| 40.24 | 35.7 |
4
|
S |
87.8 |
| 89.47 | 87.8 |
2
|
D |
71.4 |
| 73.23 | 71.4 |
1
|
T |
39.7 |
| 40.78 | 39.7 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| Prediction 1 hose_lotusv7 |
38
|
D |
81.15 |
| 82.0 | 82.0 |
36
|
D |
84.56 |
| 87.5 | 87.5 |
34
|
D |
77.70 |
| 76.5 | 76.5 |
31
|
Q |
22.95 |
| 26.2 | 24.2 |
30
|
Q |
25.15 |
| 22.2 | 24.2 |
29
|
S |
216.37 |
| 215.0 | 215.0 |
28
|
S |
83.06 |
| 82.5 | 82.5 |
27
|
T |
36.51 |
| 35.6 | 35.6 |
25
|
T |
31.30 |
| 31.2 | 31.2 |
24
|
Q |
15.75 |
| 15.9 | 15.9 |
23
|
Q |
18.70 |
| 19.7 | 19.7 |
22
|
S |
48.86 |
| 48.6 | 48.6 |
21
|
T |
28.32 |
| 28.7 | 28.7 |
20
|
T |
26.43 |
| 27.5 | 27.5 |
19
|
Q |
19.28 |
| 15.2 | 15.2 |
18
|
S |
47.89 |
| 48.9 | 48.9 |
17
|
Q |
17.83 |
| 18.2 | 18.2 |
15
|
Q |
20.81 |
| 20.5 | 23.7 |
14
|
Q |
25.51 |
| 26.9 | 23.7 |
13
|
S |
217.83 |
| 217.9 | 217.9 |
12
|
T |
35.67 |
| 34.8 | 34.8 |
11
|
S |
81.63 |
| 81.5 | 81.5 |
10
|
T |
31.57 |
| 31.8 | 31.8 |
8
|
S |
46.50 |
| 45.3 | 45.3 |
7
|
T |
28.61 |
| 28.6 | 28.6 |
6
|
T |
30.34 |
| 30.2 | 30.2 |
5
|
D |
40.24 |
| 35.7 | 35.7 |
4
|
S |
89.47 |
| 87.8 | 87.8 |
2
|
D |
73.23 |
| 71.4 | 71.4 |
1
|
T |
40.78 |
| 39.7 | 39.7 |
|
Double click upper part to get resizeable window!
|
Type: 13C Double click to get resizeable window!
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0
| Prediction 1 acd_lotusv7 |
38
|
D |
82.0 |
| 82.0 | 81.15 |
36
|
D |
87.5 |
| 87.5 | 84.56 |
34
|
D |
76.5 |
| 76.5 | 77.7 |
31
|
Q |
24.2 |
| 26.2 | 22.95 |
30
|
Q |
24.2 |
| 22.2 | 25.15 |
29
|
S |
215.0 |
| 215.0 | 216.37 |
28
|
S |
82.5 |
| 82.5 | 83.06 |
27
|
T |
35.6 |
| 35.6 | 36.51 |
25
|
T |
31.2 |
| 31.2 | 31.3 |
24
|
Q |
15.9 |
| 15.9 | 15.75 |
23
|
Q |
19.7 |
| 19.7 | 18.7 |
22
|
S |
48.6 |
| 48.6 | 48.86 |
21
|
T |
28.7 |
| 28.7 | 28.32 |
20
|
T |
27.5 |
| 27.5 | 26.43 |
19
|
Q |
15.2 |
| 15.2 | 19.28 |
18
|
S |
48.9 |
| 48.9 | 47.89 |
17
|
Q |
18.2 |
| 18.2 | 17.83 |
15
|
Q |
23.7 |
| 20.5 | 20.81 |
14
|
Q |
23.7 |
| 26.9 | 25.51 |
13
|
S |
217.9 |
| 217.9 | 217.83 |
12
|
T |
34.8 |
| 34.8 | 35.67 |
11
|
S |
81.5 |
| 81.5 | 81.63 |
10
|
T |
31.8 |
| 31.8 | 31.57 |
8
|
S |
45.3 |
| 45.3 | 46.5 |
7
|
T |
28.6 |
| 28.6 | 28.61 |
6
|
T |
30.2 |
| 30.2 | 30.34 |
5
|
D |
35.7 |
| 35.7 | 40.24 |
4
|
S |
87.8 |
| 87.8 | 89.47 |
2
|
D |
71.4 |
| 71.4 | 73.23 |
1
|
T |
39.7 |
| 39.7 | 40.78 |
|
Double click upper part to get resizeable window!
|
Report incorrect data
Copy molecule link
|
|
|
|
|
|
|
|