1,4-Benzoquinone
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00506 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H | |
| Note 1 | Oscar Li |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1,4-BENZOQUINONE | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 9 | 10 | 11 | 12 | |
|---|---|---|---|---|
| 9 | 6.8 | 11.301 | 0 | 0 |
| 10 | 0 | 6.8 | 0 | 0 |
| 11 | 0 | 0 | 6.8 | 11.301 |
| 12 | 0 | 0 | 0 | 6.8 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.79961 | 1.0 | standard |
| -0.991028 | 3.1125e-05 | standard |
| 6.79961 | 1.0 | standard |
| -0.988449 | 1.4125e-05 | standard |
| 6.79961 | 1.0 | standard |
| -0.980911 | 8.125e-06 | standard |
| 6.79961 | 1.0 | standard |
| -0.936872 | 6.125e-06 | standard |
| 6.79961 | 1.0 | standard |
| -0.942724 | 5.125e-06 | standard |
| 6.79961 | 1.0 | standard |
| -0.542606 | 1.125e-06 | standard |
| 6.79961 | 1.0 | standard |
| -0.942724 | 1.125e-06 | standard |
| 6.79961 | 1.0 | standard |
| 6.79961 | 1.0 | standard |
| 6.79961 | 1.0 | standard |
| 6.79961 | 1.0 | standard |
| 6.79961 | 1.0 | standard |
| 6.79961 | 1.0 | standard |
| 6.79961 | 1.0 | standard |
| 6.79961 | 1.0 | standard |
| 6.79961 | 1.0 | standard |
| 6.79961 | 1.0 | standard |
| 6.79961 | 1.0 | standard |
| 6.79961 | 1.0 | standard |