Gallic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00977 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Gallic acid | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 13 | 14 | |
|---|---|---|
| 13 | 7.048 | 2.0 |
| 14 | 0 | 7.048 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.04817 | 1.0 | standard |
| -0.984283 | 6.125e-06 | standard |
| 7.04817 | 1.0 | standard |
| -0.999955 | 3.125e-06 | standard |
| 7.04817 | 1.0 | standard |
| -0.403547 | 1.125e-06 | standard |
| 7.04817 | 1.0 | standard |
| -0.517512 | 1.125e-06 | standard |
| 7.04817 | 1.0 | standard |
| -0.62989 | 1.125e-06 | standard |
| 7.04817 | 1.0 | standard |
| 7.04817 | 1.0 | standard |
| 7.04817 | 1.0 | standard |
| 7.04817 | 1.0 | standard |
| 7.04817 | 1.0 | standard |
| 7.04817 | 1.0 | standard |
| 7.04817 | 1.0 | standard |
| 7.04817 | 1.0 | standard |
| 7.04817 | 1.0 | standard |
| 7.04817 | 1.0 | standard |
| 7.04817 | 1.0 | standard |
| 7.04817 | 1.0 | standard |
| 7.04817 | 1.0 | standard |
| 7.04817 | 1.0 | standard |