3,5-Dichloro-1,2-dihydropyridin-2-one
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02875 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H3Cl2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9) | |
| Note 1 | 10?11 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3,5-Dichloro-1,2-dihydropyridin-2-one | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 10 | 11 | |
|---|---|---|
| 10 | 7.928 | 2.6 |
| 11 | 0 | 7.625 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.62293 | 1.00018 | standard |
| 7.62715 | 1.00018 | standard |
| 7.92615 | 1.00018 | standard |
| 7.93036 | 1.00018 | standard |
| 7.59096 | 0.722943 | standard |
| 7.65341 | 1.0 | standard |
| 7.89988 | 1.0 | standard |
| 7.96234 | 0.722943 | standard |
| 7.60286 | 0.804442 | standard |
| 7.64462 | 1.00001 | standard |
| 7.90867 | 1.00001 | standard |
| 7.95044 | 0.804442 | standard |
| 7.60859 | 0.848634 | standard |
| 7.63997 | 0.999494 | standard |
| 7.91333 | 1.00001 | standard |
| 7.9446 | 0.849289 | standard |
| 7.61048 | 0.863959 | standard |
| 7.63842 | 0.999409 | standard |
| 7.91488 | 1.0 | standard |
| 7.94271 | 0.86469 | standard |
| 7.612 | 0.877284 | standard |
| 7.63706 | 1.0 | standard |
| 7.91613 | 1.0 | standard |
| 7.9412 | 0.877284 | standard |
| 7.61864 | 0.936551 | standard |
| 7.63118 | 1.0 | standard |
| 7.92211 | 1.0 | standard |
| 7.93465 | 0.936551 | standard |
| 7.62084 | 0.957452 | standard |
| 7.62916 | 1.00015 | standard |
| 7.92413 | 1.00015 | standard |
| 7.93246 | 0.957452 | standard |
| 7.62189 | 0.967885 | standard |
| 7.6281 | 1.00002 | standard |
| 7.92509 | 0.996978 | standard |
| 7.93141 | 0.964699 | standard |
| 7.62245 | 0.99607 | standard |
| 7.62753 | 0.996072 | standard |
| 7.92577 | 1.00001 | standard |
| 7.93074 | 1.0 | standard |
| 7.62293 | 1.00018 | standard |
| 7.62715 | 1.00018 | standard |
| 7.92615 | 1.00018 | standard |
| 7.93036 | 1.00018 | standard |
| 7.62322 | 1.00053 | standard |
| 7.62686 | 1.00053 | standard |
| 7.92643 | 1.00053 | standard |
| 7.93008 | 1.00053 | standard |
| 7.62332 | 1.00068 | standard |
| 7.62667 | 1.00068 | standard |
| 7.92653 | 1.00068 | standard |
| 7.92988 | 1.00068 | standard |
| 7.62341 | 0.994308 | standard |
| 7.62657 | 0.994309 | standard |
| 7.92673 | 1.00075 | standard |
| 7.92978 | 1.00075 | standard |
| 7.6236 | 1.00148 | standard |
| 7.62638 | 1.00148 | standard |
| 7.92682 | 1.00148 | standard |
| 7.92959 | 1.00148 | standard |
| 7.6237 | 1.00162 | standard |
| 7.62638 | 1.00162 | standard |
| 7.92691 | 1.00162 | standard |
| 7.9296 | 1.00162 | standard |
| 7.6238 | 1.00182 | standard |
| 7.62628 | 1.00182 | standard |
| 7.92701 | 1.00182 | standard |
| 7.9295 | 1.00182 | standard |
| 7.62409 | 1.00184 | standard |
| 7.626 | 1.00184 | standard |
| 7.9273 | 1.00184 | standard |
| 7.92921 | 1.00184 | standard |