5-Fluoro-1,2-dihydropyrimidin-2-one
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.12009 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C4H3FN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8) | |
| Note 1 | no 19F coupling? | |
| Note 2 | 9,10 broad |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 5-Fluoro-1,2-dihydropyrimidin-2-one | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 9 | 10 | |
|---|---|---|
| 9 | 8.306 | 1.5 |
| 10 | 0 | 8.306 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |
| 8.30615 | 1.0 | standard |