4-Hydroxybenzaldehyde
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00812 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H | |
| Note 1 | Done | |
| Note 2 | Oscar Li |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| p-hydroxybenzaldehyde | Solute | Saturated1 |
| DMSO | Solvent | 100% |
| TMS | Reference | 0.01% |
Spin System Matrix
| 10 | 11 | 12 | 13 | 14 | |
|---|---|---|---|---|---|
| 10 | 7.761 | 1.768 | 8.822 | 0 | 0 |
| 11 | 0 | 7.761 | 0 | 8.392 | 0 |
| 12 | 0 | 0 | 6.93 | 1.736 | 0 |
| 13 | 0 | 0 | 0 | 6.93 | 0 |
| 14 | 0 | 0 | 0 | 0 | 9.789 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| -0.863871 | 1.125e-06 | standard |
| 6.92101 | 0.805985 | standard |
| 6.93815 | 0.815615 | standard |
| 7.75259 | 0.822603 | standard |
| 7.76971 | 0.80841 | standard |
| 9.78849 | 1.0 | standard |
| -0.999657 | 9.2125e-05 | standard |
| 6.80844 | 0.606811 | standard |
| 7.02358 | 1.0 | standard |
| 7.66715 | 0.999514 | standard |
| 7.88229 | 0.603104 | standard |
| 9.78849 | 0.990981 | standard |
| -0.988151 | 4.1125e-05 | standard |
| 6.85202 | 0.67858 | standard |
| 6.9951 | 0.947023 | standard |
| 7.69564 | 0.946494 | standard |
| 7.8387 | 0.677683 | standard |
| 9.78849 | 1.0 | standard |
| -0.97863 | 2.3125e-05 | standard |
| 6.87262 | 0.714586 | standard |
| 6.9798 | 0.914022 | standard |
| 7.71094 | 0.910668 | standard |
| 7.81815 | 0.709864 | standard |
| 9.78849 | 1.0 | standard |
| -0.965735 | 1.8125e-05 | standard |
| 6.87928 | 0.725423 | standard |
| 6.97458 | 0.90323 | standard |
| 7.71614 | 0.900379 | standard |
| 7.8114 | 0.721777 | standard |
| 9.78849 | 1.0 | standard |
| -0.983688 | 1.5125e-05 | standard |
| 6.8846 | 0.73309 | standard |
| 6.9703 | 0.892964 | standard |
| 7.72038 | 0.893585 | standard |
| 7.80614 | 0.732425 | standard |
| 9.78849 | 1.0 | standard |
| -0.955222 | 4.125e-06 | standard |
| 6.9077 | 0.773331 | standard |
| 6.95052 | 0.854155 | standard |
| 7.74018 | 0.856301 | standard |
| 7.78299 | 0.771851 | standard |
| 9.78849 | 1.0 | standard |
| -0.926061 | 2.125e-06 | standard |
| 6.91513 | 0.786385 | standard |
| 6.94371 | 0.840446 | standard |
| 7.74701 | 0.842336 | standard |
| 7.77559 | 0.785023 | standard |
| 9.78849 | 1.0 | standard |
| -0.515529 | 1.125e-06 | standard |
| 6.9188 | 0.806758 | standard |
| 6.94026 | 0.819537 | standard |
| 7.75046 | 0.823605 | standard |
| 7.77188 | 0.804118 | standard |
| 9.78849 | 1.0 | standard |
| -0.864367 | 1.125e-06 | standard |
| 6.92101 | 0.805951 | standard |
| 6.93815 | 0.815577 | standard |
| 7.75259 | 0.822599 | standard |
| 7.76971 | 0.805979 | standard |
| 9.78849 | 1.0 | standard |
| 6.92246 | 0.814618 | standard |
| 6.93676 | 0.815151 | standard |
| 7.75397 | 0.814114 | standard |
| 7.76823 | 0.809917 | standard |
| 9.78849 | 1.0 | standard |
| 6.92353 | 0.814179 | standard |
| 6.93575 | 0.811183 | standard |
| 7.75501 | 0.816556 | standard |
| 7.76723 | 0.811706 | standard |
| 9.78849 | 1.0 | standard |
| 6.92392 | 0.815822 | standard |
| 6.93536 | 0.812496 | standard |
| 7.7554 | 0.815385 | standard |
| 7.7668 | 0.814614 | standard |
| 9.78849 | 1.0 | standard |
| 6.9243 | 0.817113 | standard |
| 6.93498 | 0.811299 | standard |
| 7.75571 | 0.814204 | standard |
| 7.76646 | 0.813878 | standard |
| 9.78849 | 1.0 | standard |
| 6.92491 | 0.81476 | standard |
| 6.93439 | 0.810813 | standard |
| 7.75629 | 0.814187 | standard |
| 7.76587 | 0.813509 | standard |
| 9.78849 | 1.0 | standard |
| 6.92512 | 0.815316 | standard |
| 6.93417 | 0.810798 | standard |
| 7.75658 | 0.814646 | standard |
| 7.76557 | 0.813221 | standard |
| 9.78849 | 1.0 | standard |
| 6.92538 | 0.81392 | standard |
| 6.93394 | 0.807177 | standard |
| 7.75678 | 0.815365 | standard |
| 7.76537 | 0.815258 | standard |
| 9.78849 | 1.0 | standard |
| 6.92578 | 0.812045 | standard |
| 6.93354 | 0.809273 | standard |
| 7.75718 | 0.813392 | standard |
| 7.76498 | 0.813612 | standard |
| 9.78849 | 1.0 | standard |
| 6.92639 | 0.813738 | standard |
| 6.93295 | 0.807167 | standard |
| 7.75777 | 0.814258 | standard |
| 7.76439 | 0.813137 | standard |
| 9.78849 | 1.0 | standard |