|
Search Results
|
|
|
|
You did not do a search!
|
|
|
|
|
|
|
|
Bookmarks
|
|
|
|
You could bookmark structures if you were logged in!
|
|
|
|
|
|
|
Details
|
|
|
|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 dkfz spektren database | expt-1 chemie koeln | Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
S |
160.6 |
| 160.4 | 160.8 | 160.36 | 160.62 |
2
|
D |
116.7 |
| 116.4 | 116.6 | 116.17 | 116.58 |
3
|
D |
143.5 |
| 143.6 | 143.5 | 143.33 | 143.53 |
4
|
S |
118.9 |
| 118.9 | 118.8 | 118.57 | 118.86 |
5
|
D |
128.5 |
| 128.1 | 127.9 | 127.83 | 128.17 |
6
|
D |
124.4 |
| 124.4 | 124.4 | 124.13 | 124.4 |
7
|
D |
131.8 |
| 131.7 | 131.8 | 131.06 | 131.77 |
8
|
D |
116.8 |
| 116.5 | 116.6 | 116.09 | 116.65 |
9
|
S |
154.1 |
| 154.0 | 154.0 | 153.66 | 154.04 |
|
|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
Intensity |
| expt-0
| expt-1 chemie koeln | Prediction 2 acd_lotusv7 | Prediction 3 hose_lotusv7 |
1
|
S |
160.4 |
0.171103 |
| 160.6 | 160.8 | 160.36 | 160.62 |
2
|
D |
116.4 |
1.0 |
| 116.7 | 116.6 | 116.17 | 116.58 |
3
|
D |
143.6 |
0.750951 |
| 143.5 | 143.5 | 143.33 | 143.53 |
4
|
S |
118.9 |
0.26616 |
| 118.9 | 118.8 | 118.57 | 118.86 |
5
|
D |
128.1 |
0.817491 |
| 128.5 | 127.9 | 127.83 | 128.17 |
6
|
D |
124.4 |
0.669201 |
| 124.4 | 124.4 | 124.13 | 124.4 |
7
|
D |
131.7 |
0.851711 |
| 131.8 | 131.8 | 131.06 | 131.77 |
8
|
D |
116.5 |
0.901141 |
| 116.8 | 116.6 | 116.09 | 116.65 |
9
|
S |
154.0 |
0.138783 |
| 154.1 | 154.0 | 153.66 | 154.04 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2 chemie koeln | Prediction 3 hose_lotusv7 |
1
|
S |
160.36 |
| 160.4 | 160.6 | 160.8 | 160.62 |
2
|
D |
116.17 |
| 116.4 | 116.7 | 116.6 | 116.58 |
3
|
D |
143.33 |
| 143.6 | 143.5 | 143.5 | 143.53 |
4
|
S |
118.57 |
| 118.9 | 118.9 | 118.8 | 118.86 |
5
|
D |
127.83 |
| 128.1 | 128.5 | 127.9 | 128.17 |
6
|
D |
124.13 |
| 124.4 | 124.4 | 124.4 | 124.4 |
7
|
D |
131.06 |
| 131.7 | 131.8 | 131.8 | 131.77 |
8
|
D |
116.09 |
| 116.5 | 116.8 | 116.6 | 116.65 |
9
|
S |
153.66 |
| 154.0 | 154.1 | 154.0 | 154.04 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1
| expt-2 chemie koeln | Prediction 3 acd_lotusv7 |
1
|
S |
160.62 |
| 160.4 | 160.6 | 160.8 | 160.36 |
2
|
D |
116.58 |
| 116.4 | 116.7 | 116.6 | 116.17 |
3
|
D |
143.53 |
| 143.6 | 143.5 | 143.5 | 143.33 |
4
|
S |
118.86 |
| 118.9 | 118.9 | 118.8 | 118.57 |
5
|
D |
128.17 |
| 128.1 | 128.5 | 127.9 | 127.83 |
6
|
D |
124.40 |
| 124.4 | 124.4 | 124.4 | 124.13 |
7
|
D |
131.77 |
| 131.7 | 131.8 | 131.8 | 131.06 |
8
|
D |
116.65 |
| 116.5 | 116.8 | 116.6 | 116.09 |
9
|
S |
154.04 |
| 154.0 | 154.1 | 154.0 | 153.66 |
|
|
Report incorrect data
Copy molecule link
|
|
|
|
|
|
|
|