7-Methyl-3,4-dihydrothieno[3,2-d]pyrimidin-4-one
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02328 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H6N2OS/c1-4-2-11-6-5(4)8-3-9-7(6)10/h2-3H,1H3,(H,8,9,10) | |
| Note 1 | 16?17 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 7-Methyl-3,4-dihydrothieno[3,2-d]pyrimidin-4-one | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 12 | 13 | 14 | 15 | 16 | |
|---|---|---|---|---|---|
| 12 | 2.387 | -14.0 | -14.0 | 0 | 0 |
| 13 | 0 | 2.387 | -14.0 | 0 | 0 |
| 14 | 0 | 0 | 2.387 | 0 | 0 |
| 15 | 0 | 0 | 0 | 7.789 | 0 |
| 16 | 0 | 0 | 0 | 0 | 8.293 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.333284 | standard |
| 8.29326 | 0.333337 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.333598 | standard |
| 8.29325 | 0.333559 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.333141 | standard |
| 8.29326 | 0.333086 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.33315 | standard |
| 8.29326 | 0.333442 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.333272 | standard |
| 8.29326 | 0.33327 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.332303 | standard |
| 8.29326 | 0.332251 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.333225 | standard |
| 8.29326 | 0.33306 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.332184 | standard |
| 8.29326 | 0.332324 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.33336 | standard |
| 8.29326 | 0.333588 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.332779 | standard |
| 8.29326 | 0.333312 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.333258 | standard |
| 8.29326 | 0.333335 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.333036 | standard |
| 8.29326 | 0.333036 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.332291 | standard |
| 8.29326 | 0.332433 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.331391 | standard |
| 8.29326 | 0.33237 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.332295 | standard |
| 8.29326 | 0.333123 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.332637 | standard |
| 8.29326 | 0.332328 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.332608 | standard |
| 8.29326 | 0.33263 | standard |
| 2.38701 | 1.0 | standard |
| 7.7887 | 0.332752 | standard |
| 8.29326 | 0.332741 | standard |