4-Methyl-thiazole-5-carboxylic acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02069 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H5NO2S/c1-3-4(5(7)8)9-2-6-3/h2H,1H3,(H,7,8) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Methyl-thiazole-5-carboxylic acid | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 10 | 11 | 12 | 13 | |
|---|---|---|---|---|
| 10 | 2.604 | -14.0 | -14.0 | 0 |
| 11 | 0 | 2.604 | -14.0 | 0 |
| 12 | 0 | 0 | 2.604 | 0 |
| 13 | 0 | 0 | 0 | 8.449 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.333333 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.333313 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.331876 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.33263 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.333233 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.33333 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.333332 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.333304 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.332976 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.333332 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.333301 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.3301 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.333333 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.333333 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.333332 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.334333 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.333333 | standard |
| 2.60383 | 1.0 | standard |
| 8.44868 | 0.332117 | standard |