Allantoin
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.03664 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m1/s1 | |
| Note 1 | low S/N thus high RMSD |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Allantoin | Solute | SaturatedmM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 12 | |
|---|---|
| 12 | 5.375 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |
| 5.375 | 1.0 | standard |