Hydroquinone
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.01338 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Hydroquinone | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 9 | 10 | 11 | 12 | |
|---|---|---|---|---|
| 9 | 6.806 | 7.5 | 0.1 | 2.0 |
| 10 | 0 | 6.806 | 2.0 | 0.1 |
| 11 | 0 | 0 | 6.806 | 7.5 |
| 12 | 0 | 0 | 0 | 6.806 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.80596 | 1.0 | standard |
| -0.953436 | 4.125e-06 | standard |
| 6.80596 | 1.0 | standard |
| -0.932111 | 2.125e-06 | standard |
| 6.80596 | 1.0 | standard |
| -0.658754 | 1.125e-06 | standard |
| 6.80596 | 1.0 | standard |
| -0.774207 | 1.125e-06 | standard |
| 6.80596 | 1.0 | standard |
| -0.887973 | 1.125e-06 | standard |
| 6.80596 | 1.0 | standard |
| 6.80596 | 1.0 | standard |
| 6.80596 | 1.0 | standard |
| 6.80596 | 1.0 | standard |
| 6.80596 | 1.0 | standard |
| 6.80596 | 1.0 | standard |
| 6.80596 | 1.0 | standard |
| 6.80596 | 1.0 | standard |
| 6.80596 | 1.0 | standard |
| 6.80596 | 1.0 | standard |
| 6.80596 | 1.0 | standard |
| 6.80596 | 1.0 | standard |
| 6.80596 | 1.0 | standard |
| 6.80596 | 1.0 | standard |