P-hydroxyacetophenone
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.02303 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3 | |
| Note 1 | 16,17?14,15 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| p-hydroxyacetophenone | Solute | Saturated1 |
| DMSO | Solvent | 100% |
| TMS | Reference | 0.01% |
Spin System Matrix
| 11 | 12 | 13 | 16 | 14 | 15 | 17 | |
|---|---|---|---|---|---|---|---|
| 11 | 2.468 | -14.9 | -14.9 | 0 | 0 | 0 | 0 |
| 12 | 0 | 2.468 | -14.9 | 0 | 0 | 0 | 0 |
| 13 | 0 | 0 | 2.468 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 7.827 | 8.312 | 0 | 0 |
| 14 | 0 | 0 | 0 | 0 | 6.84 | 0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 0 | 6.84 | 8.312 |
| 17 | 0 | 0 | 0 | 0 | 0 | 0 | 7.827 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.46815 | 1.0 | standard |
| 6.83215 | 0.337526 | standard |
| 6.84881 | 0.337329 | standard |
| 7.81885 | 0.33737 | standard |
| 7.83551 | 0.336825 | standard |
| 2.46815 | 1.0 | standard |
| 6.72588 | 0.269663 | standard |
| 6.93359 | 0.404691 | standard |
| 7.73407 | 0.4051 | standard |
| 7.94178 | 0.269591 | standard |
| 2.46815 | 1.0 | standard |
| 6.76642 | 0.291277 | standard |
| 6.90493 | 0.38365 | standard |
| 7.76273 | 0.383804 | standard |
| 7.90124 | 0.29132 | standard |
| 2.46815 | 1.0 | standard |
| 6.78585 | 0.303116 | standard |
| 6.88976 | 0.372316 | standard |
| 7.7779 | 0.371373 | standard |
| 7.88181 | 0.30309 | standard |
| 2.46815 | 1.0 | standard |
| 6.7922 | 0.307198 | standard |
| 6.8845 | 0.368807 | standard |
| 7.78316 | 0.367682 | standard |
| 7.87546 | 0.307158 | standard |
| 2.46815 | 1.0 | standard |
| 6.79725 | 0.310411 | standard |
| 6.88034 | 0.364556 | standard |
| 7.78732 | 0.365367 | standard |
| 7.87041 | 0.309523 | standard |
| 2.46815 | 1.0 | standard |
| 6.81936 | 0.32391 | standard |
| 6.8609 | 0.349881 | standard |
| 7.80676 | 0.349088 | standard |
| 7.8483 | 0.323142 | standard |
| 2.46815 | 1.0 | standard |
| 6.8265 | 0.334321 | standard |
| 6.85416 | 0.342414 | standard |
| 7.8135 | 0.34243 | standard |
| 7.84116 | 0.332554 | standard |
| 2.46815 | 1.0 | standard |
| 6.83007 | 0.335354 | standard |
| 6.85079 | 0.339654 | standard |
| 7.81687 | 0.339726 | standard |
| 7.83759 | 0.335605 | standard |
| 2.46815 | 1.0 | standard |
| 6.83215 | 0.337304 | standard |
| 6.84881 | 0.337943 | standard |
| 7.81885 | 0.337869 | standard |
| 7.83551 | 0.336949 | standard |
| 2.46815 | 1.0 | standard |
| 6.83354 | 0.338092 | standard |
| 6.84742 | 0.337704 | standard |
| 7.82024 | 0.337623 | standard |
| 7.83412 | 0.337509 | standard |
| 2.46815 | 1.0 | standard |
| 6.83453 | 0.338081 | standard |
| 6.84643 | 0.337473 | standard |
| 7.82123 | 0.337805 | standard |
| 7.83313 | 0.337961 | standard |
| 2.46815 | 1.0 | standard |
| 6.83492 | 0.337079 | standard |
| 6.84603 | 0.338077 | standard |
| 7.82163 | 0.337409 | standard |
| 7.83273 | 0.337123 | standard |
| 2.46815 | 1.0 | standard |
| 6.83532 | 0.337432 | standard |
| 6.84573 | 0.338214 | standard |
| 7.82193 | 0.336761 | standard |
| 7.83234 | 0.336903 | standard |
| 2.46815 | 1.0 | standard |
| 6.83592 | 0.337743 | standard |
| 6.84514 | 0.337651 | standard |
| 7.82252 | 0.337943 | standard |
| 7.83174 | 0.337494 | standard |
| 2.46815 | 1.0 | standard |
| 6.83611 | 0.337754 | standard |
| 6.84484 | 0.337583 | standard |
| 7.82282 | 0.337864 | standard |
| 7.83155 | 0.337325 | standard |
| 2.46815 | 1.0 | standard |
| 6.83631 | 0.337341 | standard |
| 6.84464 | 0.337425 | standard |
| 7.82302 | 0.336269 | standard |
| 7.83135 | 0.337531 | standard |
| 2.46815 | 1.0 | standard |
| 6.83671 | 0.337298 | standard |
| 6.84424 | 0.33801 | standard |
| 7.82342 | 0.337394 | standard |
| 7.83095 | 0.337442 | standard |
| 2.46815 | 1.0 | standard |
| 6.8373 | 0.337528 | standard |
| 6.84375 | 0.33847 | standard |
| 7.82391 | 0.337445 | standard |
| 7.83036 | 0.337388 | standard |