2-Methyl-1,3-thiazole-4-carbonitrile
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.03746 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H4N2S/c1-4-7-5(2-6)3-8-4/h3H,1H3 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2-Methyl-1,3-thiazole-4-carbonitrile | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 9 | 10 | 11 | 12 | |
|---|---|---|---|---|
| 9 | 2.732 | -14.0 | -14.0 | 0 |
| 10 | 0 | 2.732 | -14.0 | 0 |
| 11 | 0 | 0 | 2.732 | 0 |
| 12 | 0 | 0 | 0 | 8.31 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.333333 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.333304 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.333326 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.333316 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.33168 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.331793 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.333332 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.331444 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.333332 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.33332 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.33295 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.332477 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.333333 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.333354 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.333333 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.33356 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.333333 | standard |
| 2.73178 | 1.0 | standard |
| 8.31042 | 0.331757 | standard |