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Details
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Type: 13C Unreported
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|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 dkfz spektren database | expt-1 chemie koeln;Classics in Spectroscopy;NMReDATA | expt-2 Chemikalienlager Uni Mainz | expt-3 Chemikalienlager Uni Mainz | expt-4 Chemikalienlager Uni Mainz | Prediction 5 acd_lotusv7 | Prediction 6 hose_lotusv7 |
1
|
S |
132.0 |
| 131.9 | 131.93 | 131.905 | 131.905 | 131.905 | 131.54 | 131.96 |
2
|
D |
111.1 |
| 111.5 | 111.02 | 111.048 | 111.048 | 111.048 | 111.9 | 111.27 |
3
|
S |
146.5 |
| 146.8 | 146.47 | 146.392 | 146.392 | 146.392 | 147.11 | 146.63 |
4
|
S |
143.9 |
| 144.1 | 143.55 | 143.845 | 143.845 | 143.845 | 144.49 | 143.99 |
5
|
D |
114.2 |
| 114.7 | 114.12 | 114.211 | 114.211 | 114.211 | 115.14 | 114.41 |
6
|
D |
121.2 |
| 121.3 | 121.32 | 121.143 | 121.143 | 121.143 | 121.17 | 121.24 |
7
|
T |
39.9 |
| 39.9 | 40.2 | 39.8993 | 39.8993 | 39.8993 | 39.8 | 39.9 |
8
|
D |
137.9 |
| 138.1 | 137.92 | 137.814 | 137.814 | 137.814 | 138.23 | 137.75 |
9
|
T |
115.6 |
| 115.4 | 115.84 | 115.535 | 115.535 | 115.535 | 115.01 | 115.63 |
10
|
Q |
55.8 |
| 55.8 | 55.98 | 55.84 | 55.84 | 55.84 | 55.84 | 55.97 |
|
|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
Intensity |
| expt-0 ocmainz inhouse-2 | expt-1 chemie koeln;Classics in Spectroscopy;NMReDATA | expt-2 Chemikalienlager Uni Mainz | expt-3 Chemikalienlager Uni Mainz | expt-4 Chemikalienlager Uni Mainz | Prediction 5 acd_lotusv7 | Prediction 6 hose_lotusv7 |
1
|
S |
131.9 |
0.256 |
| 132.0 | 131.93 | 131.905 | 131.905 | 131.905 | 131.54 | 131.96 |
2
|
D |
111.5 |
0.894 |
| 111.1 | 111.02 | 111.048 | 111.048 | 111.048 | 111.9 | 111.27 |
3
|
S |
146.8 |
0.193 |
| 146.5 | 146.47 | 146.392 | 146.392 | 146.392 | 147.11 | 146.63 |
4
|
S |
144.1 |
0.304 |
| 143.9 | 143.55 | 143.845 | 143.845 | 143.845 | 144.49 | 143.99 |
5
|
D |
114.7 |
1.0 |
| 114.2 | 114.12 | 114.211 | 114.211 | 114.211 | 115.14 | 114.41 |
6
|
D |
121.3 |
0.838 |
| 121.2 | 121.32 | 121.143 | 121.143 | 121.143 | 121.17 | 121.24 |
7
|
T |
39.9 |
0.822 |
| 39.9 | 40.2 | 39.8993 | 39.8993 | 39.8993 | 39.8 | 39.9 |
8
|
D |
138.1 |
0.488 |
| 137.9 | 137.92 | 137.814 | 137.814 | 137.814 | 138.23 | 137.75 |
9
|
T |
115.4 |
0.837 |
| 115.6 | 115.84 | 115.535 | 115.535 | 115.535 | 115.01 | 115.63 |
10
|
Q |
55.8 |
0.852 |
| 55.8 | 55.98 | 55.84 | 55.84 | 55.84 | 55.84 | 55.97 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1 ocmainz inhouse-2 | expt-2 chemie koeln;Classics in Spectroscopy;NMReDATA | expt-3 Chemikalienlager Uni Mainz | expt-4 Chemikalienlager Uni Mainz | expt-5 Chemikalienlager Uni Mainz | Prediction 6 hose_lotusv7 |
1
|
S |
131.54 |
| 131.9 | 132.0 | 131.93 | 131.905 | 131.905 | 131.905 | 131.96 |
2
|
D |
111.90 |
| 111.5 | 111.1 | 111.02 | 111.048 | 111.048 | 111.048 | 111.27 |
3
|
S |
147.11 |
| 146.8 | 146.5 | 146.47 | 146.392 | 146.392 | 146.392 | 146.63 |
4
|
S |
144.49 |
| 144.1 | 143.9 | 143.55 | 143.845 | 143.845 | 143.845 | 143.99 |
5
|
D |
115.14 |
| 114.7 | 114.2 | 114.12 | 114.211 | 114.211 | 114.211 | 114.41 |
6
|
D |
121.17 |
| 121.3 | 121.2 | 121.32 | 121.143 | 121.143 | 121.143 | 121.24 |
7
|
T |
39.80 |
| 39.9 | 39.9 | 40.2 | 39.8993 | 39.8993 | 39.8993 | 39.9 |
8
|
D |
138.23 |
| 138.1 | 137.9 | 137.92 | 137.814 | 137.814 | 137.814 | 137.75 |
9
|
T |
115.01 |
| 115.4 | 115.6 | 115.84 | 115.535 | 115.535 | 115.535 | 115.63 |
10
|
Q |
55.84 |
| 55.8 | 55.8 | 55.98 | 55.84 | 55.84 | 55.84 | 55.97 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 dkfz spektren database | expt-1 ocmainz inhouse-2 | expt-2 chemie koeln;Classics in Spectroscopy;NMReDATA | expt-3 Chemikalienlager Uni Mainz | expt-4 Chemikalienlager Uni Mainz | expt-5 Chemikalienlager Uni Mainz | Prediction 6 acd_lotusv7 |
1
|
S |
131.96 |
| 131.9 | 132.0 | 131.93 | 131.905 | 131.905 | 131.905 | 131.54 |
2
|
D |
111.27 |
| 111.5 | 111.1 | 111.02 | 111.048 | 111.048 | 111.048 | 111.9 |
3
|
S |
146.63 |
| 146.8 | 146.5 | 146.47 | 146.392 | 146.392 | 146.392 | 147.11 |
4
|
S |
143.99 |
| 144.1 | 143.9 | 143.55 | 143.845 | 143.845 | 143.845 | 144.49 |
5
|
D |
114.41 |
| 114.7 | 114.2 | 114.12 | 114.211 | 114.211 | 114.211 | 115.14 |
6
|
D |
121.24 |
| 121.3 | 121.2 | 121.32 | 121.143 | 121.143 | 121.143 | 121.17 |
7
|
T |
39.90 |
| 39.9 | 39.9 | 40.2 | 39.8993 | 39.8993 | 39.8993 | 39.8 |
8
|
D |
137.75 |
| 138.1 | 137.9 | 137.92 | 137.814 | 137.814 | 137.814 | 138.23 |
9
|
T |
115.63 |
| 115.4 | 115.6 | 115.84 | 115.535 | 115.535 | 115.535 | 115.01 |
10
|
Q |
55.97 |
| 55.8 | 55.8 | 55.98 | 55.84 | 55.84 | 55.84 | 55.84 |
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