Ellagic acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00883 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H | |
| Note 1 | Oscar Li |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Ellagic acid | solute | 100mM |
| DMSO | solvent | 100.0% |
| TMS | reference | 0.05% |
Spin System Matrix
| 23 | 24 | |
|---|---|---|
| 23 | 7.463 | 0 |
| 24 | 0 | 7.463 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.46337 | 1.0 | standard |
| -0.948973 | 5.125e-06 | standard |
| 7.46337 | 1.0 | standard |
| -0.721935 | 2.125e-06 | standard |
| 7.46337 | 1.0 | standard |
| -0.363377 | 1.125e-06 | standard |
| 7.46337 | 1.0 | standard |
| -0.516124 | 1.125e-06 | standard |
| 7.46337 | 1.0 | standard |
| -0.664705 | 1.125e-06 | standard |
| 7.46337 | 1.0 | standard |
| 7.46337 | 1.0 | standard |
| 7.46337 | 1.0 | standard |
| 7.46337 | 1.0 | standard |
| 7.46337 | 1.0 | standard |
| 7.46337 | 1.0 | standard |
| 7.46337 | 1.0 | standard |
| 7.46337 | 1.0 | standard |
| 7.46337 | 1.0 | standard |
| 7.46337 | 1.0 | standard |
| 7.46337 | 1.0 | standard |
| 7.46337 | 1.0 | standard |
| 7.46337 | 1.0 | standard |
| 7.46337 | 1.0 | standard |