N1-(4-methyl-1,3-thiazol-2-yl)acetamide
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02304 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H8N2OS/c1-4-3-10-6(7-4)8-5(2)9/h3H,1-2H3,(H,7,8,9) | |
| Note 1 | 11,12,13?14,15,16 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| N1-(4-methyl-1,3-thiazol-2-yl)acetamide | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 11 | 12 | 13 | 14 | 15 | 16 | 17 | |
|---|---|---|---|---|---|---|---|
| 11 | 2.289 | -14.0 | -14.0 | 0 | 0 | 0 | 0 |
| 12 | 0 | 2.289 | -14.0 | 0 | 0 | 0 | 0 |
| 13 | 0 | 0 | 2.289 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 0 | 2.249 | -14.0 | -14.0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 2.249 | -14.0 | 0 |
| 16 | 0 | 0 | 0 | 0 | 0 | 2.249 | 0 |
| 17 | 0 | 0 | 0 | 0 | 0 | 0 | 6.743 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.24954 | 0.999635 | standard |
| 2.28921 | 1.0 | standard |
| 6.74327 | 0.331583 | standard |
| 2.25364 | 0.999904 | standard |
| 2.28512 | 1.0 | standard |
| 6.74327 | 0.25395 | standard |
| 2.25049 | 0.999608 | standard |
| 2.28826 | 1.0 | standard |
| 6.74327 | 0.288157 | standard |
| 2.24987 | 1.00001 | standard |
| 2.28888 | 0.999998 | standard |
| 6.74327 | 0.303822 | standard |
| 2.24975 | 0.998199 | standard |
| 2.289 | 1.0 | standard |
| 6.74327 | 0.310113 | standard |
| 2.24968 | 0.998235 | standard |
| 2.28907 | 1.00002 | standard |
| 6.74327 | 0.313204 | standard |
| 2.24955 | 1.0 | standard |
| 2.2892 | 0.999629 | standard |
| 6.74327 | 0.327146 | standard |
| 2.24954 | 0.999362 | standard |
| 2.28921 | 1.0 | standard |
| 6.74327 | 0.328752 | standard |
| 2.24954 | 1.0 | standard |
| 2.28921 | 0.999969 | standard |
| 6.74327 | 0.331105 | standard |
| 2.24954 | 0.999771 | standard |
| 2.28921 | 1.0 | standard |
| 6.74327 | 0.331487 | standard |
| 2.24954 | 0.999804 | standard |
| 2.28921 | 1.0 | standard |
| 6.74327 | 0.331348 | standard |
| 2.24954 | 1.0 | standard |
| 2.28921 | 0.9994 | standard |
| 6.74327 | 0.331862 | standard |
| 2.24954 | 0.99786 | standard |
| 2.28921 | 1.0 | standard |
| 6.74327 | 0.330791 | standard |
| 2.24954 | 0.99899 | standard |
| 2.28921 | 1.0 | standard |
| 6.74327 | 0.332162 | standard |
| 2.24954 | 0.999296 | standard |
| 2.28921 | 1.0 | standard |
| 6.74327 | 0.331644 | standard |
| 2.24954 | 0.998871 | standard |
| 2.28921 | 1.0 | standard |
| 6.74327 | 0.331783 | standard |
| 2.24954 | 1.0 | standard |
| 2.28921 | 0.999495 | standard |
| 6.74327 | 0.33216 | standard |
| 2.24954 | 0.998983 | standard |
| 2.28921 | 1.0 | standard |
| 6.74327 | 0.331849 | standard |