5-Chloropyridin-3-ol
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01830 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H4ClNO/c6-4-1-5(8)3-7-2-4/h1-3,8H | |
| Note 1 | 10?11 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 5-Chloropyridin-3-ol | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 9 | 10 | 11 | |
|---|---|---|---|
| 9 | 7.254 | 2.091 | 2.091 |
| 10 | 0 | 7.915 | 0.293 |
| 11 | 0 | 0 | 7.926 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.25408 | 0.842088 | standard |
| 7.91612 | 1.00002 | standard |
| 7.92521 | 0.999932 | standard |
| 7.25456 | 0.46778 | standard |
| 7.91184 | 1.0 | standard |
| 7.25423 | 0.472827 | standard |
| 7.9171 | 1.0 | standard |
| 7.25418 | 0.474837 | standard |
| 7.91923 | 1.0 | standard |
| 7.25414 | 0.475846 | standard |
| 7.91975 | 1.0 | standard |
| 7.25415 | 0.476865 | standard |
| 7.92012 | 1.0 | standard |
| 7.25397 | 0.503285 | standard |
| 7.92073 | 1.0 | standard |
| 7.2541 | 0.577765 | standard |
| 7.92065 | 1.00001 | standard |
| 7.25408 | 0.707757 | standard |
| 7.91844 | 1.0 | standard |
| 7.92291 | 0.998725 | standard |
| 7.25408 | 0.79636 | standard |
| 7.91676 | 1.0 | standard |
| 7.92457 | 0.999904 | standard |
| 7.25408 | 0.842085 | standard |
| 7.91612 | 1.00002 | standard |
| 7.92521 | 0.999932 | standard |
| 7.25408 | 0.869277 | standard |
| 7.9158 | 1.00004 | standard |
| 7.92553 | 0.999978 | standard |
| 7.25408 | 0.879021 | standard |
| 7.91569 | 1.00002 | standard |
| 7.92564 | 0.999957 | standard |
| 7.25408 | 0.886276 | standard |
| 7.91569 | 0.993322 | standard |
| 7.92576 | 1.00001 | standard |
| 7.25408 | 0.8977 | standard |
| 7.91549 | 0.990242 | standard |
| 7.92587 | 1.0 | standard |
| 7.25408 | 0.902977 | standard |
| 7.91549 | 1.00003 | standard |
| 7.92592 | 0.989592 | standard |
| 7.25408 | 0.907598 | standard |
| 7.91541 | 1.00006 | standard |
| 7.92592 | 1.00002 | standard |
| 7.25408 | 0.921779 | standard |
| 7.91531 | 1.00011 | standard |
| 7.92602 | 1.00008 | standard |