2-4-6-Trichlorophenol
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01207 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H | |
| Note 1 | ethanol 5.3269,3.5542,1.1109 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2,4,6-trichlorophenol | Solute | Saturated1 |
| ethanol | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 11 | 12 | |
|---|---|---|
| 11 | 7.24 | 2.0 |
| 12 | 0 | 7.24 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.2405 | 1.0 | standard |
| -0.912175 | 7.125e-06 | standard |
| 7.2405 | 1.0 | standard |
| -0.807632 | 3.125e-06 | standard |
| 7.2405 | 1.0 | standard |
| -0.853655 | 2.125e-06 | standard |
| 7.2405 | 1.0 | standard |
| -0.32519 | 1.125e-06 | standard |
| 7.2405 | 1.0 | standard |
| -0.437568 | 1.125e-06 | standard |
| 7.2405 | 1.0 | standard |
| 7.2405 | 1.0 | standard |
| 7.2405 | 1.0 | standard |
| 7.2405 | 1.0 | standard |
| 7.2405 | 1.0 | standard |
| 7.2405 | 1.0 | standard |
| 7.2405 | 1.0 | standard |
| 7.2405 | 1.0 | standard |
| 7.2405 | 1.0 | standard |
| 7.2405 | 1.0 | standard |
| 7.2405 | 1.0 | standard |
| 7.2405 | 1.0 | standard |
| 7.2405 | 1.0 | standard |
| 7.2405 | 1.0 | standard |