4-Aminophenol
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00683 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Aminophenol | Solute | SaturatedmM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 11 | 9 | 10 | 12 | |
|---|---|---|---|---|
| 11 | 6.781 | 8.499 | 0.967 | 0.556 |
| 9 | 0 | 6.77 | 0.556 | 0.967 |
| 10 | 0 | 0 | 6.781 | 8.499 |
| 12 | 0 | 0 | 0 | 6.77 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.75709 | 0.0603329 | standard |
| 6.77524 | 1.00001 | standard |
| 6.79405 | 0.0606612 | standard |
| -0.967322 | 4.125e-06 | standard |
| 6.77554 | 1.0 | standard |
| -0.946196 | 2.125e-06 | standard |
| 6.77553 | 1.0 | standard |
| -0.676012 | 1.125e-06 | standard |
| 6.77552 | 1.0 | standard |
| -0.789977 | 1.125e-06 | standard |
| 6.77551 | 1.0 | standard |
| -0.902256 | 1.125e-06 | standard |
| 6.77553 | 1.0 | standard |
| 6.77554 | 1.00003 | standard |
| 6.77551 | 1.0 | standard |
| 6.75332 | 0.0387004 | standard |
| 6.77555 | 1.00009 | standard |
| 6.79776 | 0.0389998 | standard |
| 6.75709 | 0.0603517 | standard |
| 6.77524 | 1.00001 | standard |
| 6.79405 | 0.0606802 | standard |
| 6.75961 | 0.0897798 | standard |
| 6.77431 | 0.996522 | standard |
| 6.77679 | 1.00003 | standard |
| 6.79148 | 0.0898791 | standard |
| 6.76136 | 0.120461 | standard |
| 6.77389 | 0.989143 | standard |
| 6.77719 | 1.00003 | standard |
| 6.7897 | 0.120869 | standard |
| 6.76209 | 0.136402 | standard |
| 6.77375 | 0.98842 | standard |
| 6.77732 | 1.00019 | standard |
| 6.789 | 0.13661 | standard |
| 6.76268 | 0.152928 | standard |
| 6.77359 | 0.998874 | standard |
| 6.77744 | 1.00098 | standard |
| 6.7884 | 0.152201 | standard |
| 6.76365 | 0.185759 | standard |
| 6.77336 | 0.99782 | standard |
| 6.77767 | 1.00033 | standard |
| 6.78737 | 0.183377 | standard |
| 6.76404 | 0.198745 | standard |
| 6.77329 | 1.0007 | standard |
| 6.77777 | 0.999524 | standard |
| 6.78698 | 0.198936 | standard |
| 6.76443 | 0.20921 | standard |
| 6.77321 | 1.00028 | standard |
| 6.77787 | 0.982825 | standard |
| 6.7866 | 0.213576 | standard |
| 6.7651 | 0.244841 | standard |
| 6.773 | 1.00068 | standard |
| 6.77802 | 1.00067 | standard |
| 6.786 | 0.243058 | standard |
| 6.76599 | 0.291671 | standard |
| 6.77275 | 0.981701 | standard |
| 6.77835 | 1.0012 | standard |
| 6.78504 | 0.302762 | standard |