Pyromellitic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00782 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Pyromellitic acid | Solute | 100mM |
| methanol | Solvent | 100% |
| TMS | Reference | 0.05mM |
Spin System Matrix
| 19 | 20 | |
|---|---|---|
| 19 | 8.036 | 0 |
| 20 | 0 | 8.036 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 8.03587 | 1.0 | standard |
| -0.970496 | 1.8125e-05 | standard |
| 8.03587 | 1.0 | standard |
| -0.935384 | 8.125e-06 | standard |
| 8.03587 | 1.0 | standard |
| -0.997773 | 5.125e-06 | standard |
| 8.03587 | 1.0 | standard |
| -0.982498 | 4.125e-06 | standard |
| 8.03587 | 1.0 | standard |
| -0.861788 | 3.125e-06 | standard |
| 8.03587 | 1.0 | standard |
| -0.655282 | 1.125e-06 | standard |
| 8.03587 | 1.0 | standard |
| 8.03587 | 1.0 | standard |
| 8.03587 | 1.0 | standard |
| 8.03587 | 1.0 | standard |
| 8.03587 | 1.0 | standard |
| 8.03587 | 1.0 | standard |
| 8.03587 | 1.0 | standard |
| 8.03587 | 1.0 | standard |
| 8.03587 | 1.0 | standard |
| 8.03587 | 1.0 | standard |
| 8.03587 | 1.0 | standard |
| 8.03587 | 1.0 | standard |
| 8.03587 | 1.0 | standard |