6-Chloro-4-pyrimidinol
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02271 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C4H3ClN2O/c5-3-1-4(8)7-2-6-3/h1-2H,(H,6,7,8) | |
| Note 1 | 9?10 | |
| Note 2 | 9 low intensity (exchange?) |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 6-Chloro-4-pyrimidinol | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 9 | 10 | |
|---|---|---|
| 9 | 6.479 | 0 |
| 10 | 0 | 8.177 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |
| 6.47944 | 1.0 | standard |
| 8.17691 | 1.0 | standard |