2-4-5-Trichlorophenoxyacetic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.01897 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13) | |
| Note 1 | benzene 7.1567 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2,4,5-trichlorophenoxyacetic acid | Solute | SaturatedmM |
| benzene | Solvent | 100% |
| TMS | Reference | 10mM |
Spin System Matrix
| 16 | 15 | 17 | 18 | |
|---|---|---|---|---|
| 16 | 6.324 | 0 | 1.994 | 1.994 |
| 15 | 0 | 7.004 | 0 | 0 |
| 17 | 0 | 0 | 3.654 | -12.764 |
| 18 | 0 | 0 | 0 | 3.654 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.65431 | 1.0 | standard |
| 6.32436 | 0.465653 | standard |
| 7.00394 | 0.57768 | standard |
| 3.65461 | 1.0 | standard |
| 6.32491 | 0.471949 | standard |
| 7.00389 | 0.583352 | standard |
| 3.65417 | 1.0 | standard |
| 6.32458 | 0.469214 | standard |
| 7.00392 | 0.580556 | standard |
| 3.65424 | 1.0 | standard |
| 6.32446 | 0.468206 | standard |
| 7.00393 | 0.579751 | standard |
| 3.65426 | 1.0 | standard |
| 6.3244 | 0.468226 | standard |
| 7.00393 | 0.579805 | standard |
| 3.65426 | 1.0 | standard |
| 6.32442 | 0.467754 | standard |
| 7.00393 | 0.57915 | standard |
| 3.65429 | 1.0 | standard |
| 6.32436 | 0.467136 | standard |
| 7.00394 | 0.578558 | standard |
| 3.65426 | 1.00001 | standard |
| 6.32435 | 0.467023 | standard |
| 7.00394 | 0.578454 | standard |
| 3.65431 | 1.0 | standard |
| 6.32436 | 0.465657 | standard |
| 7.00394 | 0.57763 | standard |
| 3.65431 | 1.0 | standard |
| 6.32436 | 0.46529 | standard |
| 7.00394 | 0.577612 | standard |
| 3.65431 | 1.0 | standard |
| 6.32436 | 0.468816 | standard |
| 7.00394 | 0.580737 | standard |
| 3.65431 | 1.0 | standard |
| 6.3243 | 0.464871 | standard |
| 7.00394 | 0.574524 | standard |
| 3.65429 | 1.00002 | standard |
| 6.3243 | 0.467117 | standard |
| 7.00394 | 0.576665 | standard |
| 3.65426 | 1.0001 | standard |
| 6.3243 | 0.464348 | standard |
| 7.00394 | 0.57765 | standard |
| 3.65431 | 1.0 | standard |
| 6.3243 | 0.464075 | standard |
| 7.00394 | 0.576046 | standard |
| 3.65426 | 1.00014 | standard |
| 6.3243 | 0.463892 | standard |
| 7.00394 | 0.577283 | standard |
| 3.65431 | 1.0 | standard |
| 6.3243 | 0.463634 | standard |
| 7.00394 | 0.577588 | standard |
| 3.65431 | 1.0 | standard |
| 6.3243 | 0.463408 | standard |
| 7.00394 | 0.576043 | standard |
| 3.65431 | 1.0 | standard |
| 6.3243 | 0.471125 | standard |
| 7.00394 | 0.583916 | standard |