Hypoxanthine
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.00936 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) | |
| pKa | 8.7 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Hypoxanthine | Solute | 100mM |
| D2O | Solvent | 100% |
| DSS | Reference | 500uM |
Spin System Matrix
| 11 | 12 | |
|---|---|---|
| 11 | 8.084 | 0 |
| 12 | 0 | 8.005 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |
| -0.997773 | 3.5125e-05 | standard |
| 8.00553 | 1.0 | standard |
| 8.08367 | 1.0 | standard |
| -0.962661 | 1.6125e-05 | standard |
| 8.00498 | 1.00001 | standard |
| 8.08422 | 1.00001 | standard |
| -0.920804 | 9.125e-06 | standard |
| 8.00488 | 1.00001 | standard |
| 8.08432 | 1.00001 | standard |
| -0.884601 | 7.125e-06 | standard |
| 8.00486 | 1.00001 | standard |
| 8.08434 | 1.00001 | standard |
| -0.922986 | 6.125e-06 | standard |
| 8.00485 | 1.0 | standard |
| 8.08435 | 1.0 | standard |
| -0.99559 | 2.125e-06 | standard |
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |
| -0.720745 | 1.125e-06 | standard |
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |
| 8.00483 | 1.0 | standard |
| 8.08437 | 1.0 | standard |