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Details
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Type: 13C Unreported  
|
|
Atom |
Mult.(coupling const.) |
Meas.
Shift |
| expt-0
dkfz spektren database | expt-1
ocmainz inhouse-2 | Prediction 2
acd_lotusv7 | Prediction 3
hose_lotusv7 |
|
1
|
T |
64.5 |
| 66.9 | 63.8 | 65.05 | 64.9 |
|
2
|
D |
73.7 |
| 75.7 | 73.2 | 74.33 | 74.06 |
|
3
|
T |
64.5 |
| 66.9 | 63.8 | 65.05 | 64.9 |
|
|
Type: 13C Unreported
|
|
Atom |
Mult.(coupling const.) |
Meas.
Shift |
| expt-0
dkfz spektren database | expt-1
| Prediction 2
acd_lotusv7 | Prediction 3
hose_lotusv7 |
|
1
|
T |
63.8 |
| 66.9 | 64.5 | 65.05 | 64.9 |
|
2
|
D |
73.2 |
| 75.7 | 73.7 | 74.33 | 74.06 |
|
3
|
T |
63.8 |
| 66.9 | 64.5 | 65.05 | 64.9 |
|
|
Type: 13C 23
|
|
Atom |
Mult.(coupling const.) |
Meas.
Shift |
| expt-0
| expt-1
ocmainz inhouse-2 | Prediction 2
acd_lotusv7 | Prediction 3
hose_lotusv7 |
|
1
|
T |
66.9 |
| 64.5 | 63.8 | 65.05 | 64.9 |
|
2
|
D |
75.7 |
| 73.7 | 73.2 | 74.33 | 74.06 |
|
3
|
T |
66.9 |
| 64.5 | 63.8 | 65.05 | 64.9 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction
Shift |
| expt-0
dkfz spektren database | expt-1
| expt-2
ocmainz inhouse-2 | Prediction 3
hose_lotusv7 |
|
1
|
T |
65.05 |
| 66.9 | 64.5 | 63.8 | 64.9 |
|
2
|
D |
74.33 |
| 75.7 | 73.7 | 73.2 | 74.06 |
|
3
|
T |
65.05 |
| 66.9 | 64.5 | 63.8 | 64.9 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction
Shift |
| expt-0
dkfz spektren database | expt-1
| expt-2
ocmainz inhouse-2 | Prediction 3
acd_lotusv7 |
|
1
|
T |
64.90 |
| 66.9 | 64.5 | 63.8 | 65.05 |
|
2
|
D |
74.06 |
| 75.7 | 73.7 | 73.2 | 74.33 |
|
3
|
T |
64.90 |
| 66.9 | 64.5 | 63.8 | 65.05 |
|
|
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