|
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 Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 ocmainz inhouse database | Prediction 1 acd_lotusv7 | Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
D |
127.8 |
| 127.74 | 127.67 | 127.67 | 128.45 | 128.45 |
2
|
D |
128.9 |
| 128.81 | 128.77 | 128.77 | 128.68 | 128.68 |
3
|
D |
126.8 |
| 126.7 | 126.63 | 126.63 | 126.58 | 126.58 |
4
|
S |
137.6 |
| 137.55 | 137.43 | 137.43 | 137.53 | 137.53 |
5
|
D |
126.8 |
| 126.7 | 126.63 | 126.63 | 126.58 | 126.58 |
6
|
D |
128.9 |
| 128.81 | 128.77 | 128.77 | 128.68 | 128.68 |
7
|
D |
129.0 |
| 128.91 | 128.85 | 128.85 | 128.96 | 128.96 |
8
|
D |
129.0 |
| 128.91 | 128.85 | 128.85 | 128.96 | 128.96 |
9
|
S |
137.6 |
| 137.55 | 137.43 | 137.43 | 137.53 | 137.53 |
10
|
D |
126.8 |
| 126.7 | 126.63 | 126.63 | 126.58 | 126.58 |
11
|
D |
128.9 |
| 128.81 | 128.77 | 128.77 | 128.68 | 128.68 |
12
|
D |
127.8 |
| 127.74 | 127.67 | 127.67 | 128.45 | 128.45 |
13
|
D |
128.9 |
| 128.81 | 128.77 | 128.77 | 128.68 | 128.68 |
14
|
D |
126.8 |
| 126.7 | 126.63 | 126.63 | 126.58 | 126.58 |
|
|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0
| Prediction 1 acd_lotusv7 | Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 | Prediction 4 hose_lotusv7 |
1
|
D |
127.74 |
| 127.8 | 127.67 | 127.67 | 128.45 | 128.45 |
2
|
D |
128.81 |
| 128.9 | 128.77 | 128.77 | 128.68 | 128.68 |
3
|
D |
126.70 |
| 126.8 | 126.63 | 126.63 | 126.58 | 126.58 |
4
|
S |
137.55 |
| 137.6 | 137.43 | 137.43 | 137.53 | 137.53 |
5
|
D |
126.70 |
| 126.8 | 126.63 | 126.63 | 126.58 | 126.58 |
6
|
D |
128.81 |
| 128.9 | 128.77 | 128.77 | 128.68 | 128.68 |
7
|
D |
128.91 |
| 129.0 | 128.85 | 128.85 | 128.96 | 128.96 |
8
|
D |
128.91 |
| 129.0 | 128.85 | 128.85 | 128.96 | 128.96 |
9
|
S |
137.55 |
| 137.6 | 137.43 | 137.43 | 137.53 | 137.53 |
10
|
D |
126.70 |
| 126.8 | 126.63 | 126.63 | 126.58 | 126.58 |
11
|
D |
128.81 |
| 128.9 | 128.77 | 128.77 | 128.68 | 128.68 |
12
|
D |
127.74 |
| 127.8 | 127.67 | 127.67 | 128.45 | 128.45 |
13
|
D |
128.81 |
| 128.9 | 128.77 | 128.77 | 128.68 | 128.68 |
14
|
D |
126.70 |
| 126.8 | 126.63 | 126.63 | 126.58 | 126.58 |
|
|
Type: 1H Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
1-H
|
|
7.18 |
2-H
|
|
7.28 |
3-H
|
|
7.43 |
5-H
|
|
7.43 |
6-H
|
|
7.28 |
7-H
|
|
7.08 |
8-H
|
|
7.08 |
10-H
|
|
7.43 |
11-H
|
|
7.28 |
12-H
|
|
7.18 |
13-H
|
|
7.28 |
14-H
|
|
7.43 |
|
Unassigned shifts in this spectrum:
H 1 |
Intensity |
7.38 |
0.0 | |
7.63 |
0.0 | |
|
|
|
Report incorrect data
Copy molecule link
|
|
|
|
|
|
|
|