1-Nitroso-2-naphthol
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.03708 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H | |
| Note 1 | 14?15 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1-Nitroso-2-naphthol | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 14 | 15 | 16 | 17 | 18 | 19 | |
|---|---|---|---|---|---|---|
| 14 | 7.569 | 6.919 | 6.919 | 0 | 0 | 0 |
| 15 | 0 | 7.602 | 1.5 | 9.574 | 0 | 0 |
| 16 | 0 | 0 | 7.602 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 7.794 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 9.118 | 7.747 |
| 19 | 0 | 0 | 0 | 0 | 0 | 6.531 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.52461 | 0.537056 | standard |
| 6.53703 | 0.537058 | standard |
| 7.56768 | 0.518938 | standard |
| 7.57829 | 0.631231 | standard |
| 7.59854 | 1.0 | standard |
| 7.78645 | 0.528138 | standard |
| 7.80188 | 0.462351 | standard |
| 9.11208 | 0.536156 | standard |
| 9.1246 | 0.536155 | standard |
| 6.43485 | 0.196353 | standard |
| 6.62132 | 0.220449 | standard |
| 7.62479 | 1.0 | standard |
| 9.02818 | 0.216814 | standard |
| 9.21455 | 0.194035 | standard |
| 6.46729 | 0.238224 | standard |
| 6.5917 | 0.255482 | standard |
| 7.60787 | 1.0 | standard |
| 9.05757 | 0.25371 | standard |
| 9.18185 | 0.236927 | standard |
| 6.48342 | 0.262062 | standard |
| 6.57669 | 0.274299 | standard |
| 7.59863 | 1.0 | standard |
| 7.72507 | 0.391519 | standard |
| 9.07244 | 0.27317 | standard |
| 9.1658 | 0.261145 | standard |
| 6.48875 | 0.269215 | standard |
| 6.57168 | 0.279619 | standard |
| 7.59549 | 1.0 | standard |
| 7.74406 | 0.348568 | standard |
| 9.07754 | 0.278761 | standard |
| 9.16047 | 0.268512 | standard |
| 6.49303 | 0.274759 | standard |
| 6.56765 | 0.283453 | standard |
| 7.59288 | 1.0 | standard |
| 7.75418 | 0.324841 | standard |
| 9.08156 | 0.282752 | standard |
| 9.15618 | 0.274174 | standard |
| 6.51209 | 0.309983 | standard |
| 6.54935 | 0.310011 | standard |
| 7.58681 | 1.0 | standard |
| 7.77591 | 0.301778 | standard |
| 7.81364 | 0.214643 | standard |
| 9.09986 | 0.309824 | standard |
| 9.13712 | 0.309812 | standard |
| 6.5184 | 0.373511 | standard |
| 6.54324 | 0.373522 | standard |
| 7.58521 | 1.0 | standard |
| 7.78076 | 0.366706 | standard |
| 7.80942 | 0.288866 | standard |
| 9.10597 | 0.373423 | standard |
| 9.13081 | 0.373419 | standard |
| 6.52145 | 0.476605 | standard |
| 6.54019 | 0.476611 | standard |
| 7.58379 | 0.979016 | standard |
| 7.59603 | 1.00001 | standard |
| 7.7834 | 0.471448 | standard |
| 7.80573 | 0.392538 | standard |
| 9.10903 | 0.477055 | standard |
| 9.12765 | 0.477053 | standard |
| 6.52337 | 0.516139 | standard |
| 6.53827 | 0.516142 | standard |
| 7.56758 | 0.500422 | standard |
| 7.58048 | 0.758824 | standard |
| 7.5978 | 1.00001 | standard |
| 7.78516 | 0.508393 | standard |
| 7.80341 | 0.4353 | standard |
| 9.11094 | 0.516094 | standard |
| 9.12584 | 0.516092 | standard |
| 6.52461 | 0.537052 | standard |
| 6.53703 | 0.537053 | standard |
| 7.56768 | 0.518935 | standard |
| 7.57829 | 0.631234 | standard |
| 7.59854 | 1.0 | standard |
| 7.78645 | 0.528134 | standard |
| 7.80188 | 0.462347 | standard |
| 9.11208 | 0.536152 | standard |
| 9.1246 | 0.536151 | standard |
| 6.52546 | 0.549404 | standard |
| 6.53617 | 0.549406 | standard |
| 7.56798 | 0.534192 | standard |
| 7.57703 | 0.569802 | standard |
| 7.59913 | 1.00001 | standard |
| 7.7874 | 0.539464 | standard |
| 7.8007 | 0.480188 | standard |
| 9.11304 | 0.550424 | standard |
| 9.12364 | 0.550423 | standard |
| 6.52585 | 0.55448 | standard |
| 6.53578 | 0.554481 | standard |
| 7.5681 | 0.54086 | standard |
| 7.5766 | 0.548059 | standard |
| 7.59937 | 1.0 | standard |
| 7.78777 | 0.542813 | standard |
| 7.80028 | 0.485886 | standard |
| 9.11332 | 0.553342 | standard |
| 9.12336 | 0.553341 | standard |
| 6.52624 | 0.560412 | standard |
| 6.5355 | 0.560413 | standard |
| 7.5682 | 0.547931 | standard |
| 7.57619 | 0.53302 | standard |
| 7.59949 | 1.00003 | standard |
| 7.78815 | 0.547249 | standard |
| 7.79985 | 0.493078 | standard |
| 9.11371 | 0.560392 | standard |
| 9.12297 | 0.560392 | standard |
| 6.52671 | 0.564126 | standard |
| 6.53502 | 0.564126 | standard |
| 7.56835 | 0.556878 | standard |
| 7.57548 | 0.505842 | standard |
| 7.59986 | 1.0 | standard |
| 7.78875 | 0.549654 | standard |
| 7.79919 | 0.500666 | standard |
| 9.11418 | 0.564109 | standard |
| 9.1225 | 0.56411 | standard |
| 6.5269 | 0.568458 | standard |
| 6.53473 | 0.568459 | standard |
| 7.56845 | 0.562743 | standard |
| 7.57518 | 0.497491 | standard |
| 7.59993 | 1.00001 | standard |
| 7.78896 | 0.55357 | standard |
| 7.7989 | 0.506236 | standard |
| 9.11437 | 0.566998 | standard |
| 9.12231 | 0.566997 | standard |
| 6.52709 | 0.572249 | standard |
| 6.53454 | 0.572249 | standard |
| 7.56848 | 0.567807 | standard |
| 7.57494 | 0.489426 | standard |
| 7.60006 | 1.00001 | standard |
| 7.78923 | 0.556658 | standard |
| 7.79867 | 0.51146 | standard |
| 9.11457 | 0.572236 | standard |
| 9.12202 | 0.572236 | standard |
| 6.52795 | 0.579486 | standard |
| 6.53368 | 0.579486 | standard |
| 7.56399 | 0.293556 | standard |
| 7.56869 | 0.580368 | standard |
| 7.57368 | 0.450556 | standard |
| 7.60057 | 1.00003 | standard |
| 7.79023 | 0.559363 | standard |
| 7.79754 | 0.524097 | standard |
| 9.11543 | 0.579478 | standard |
| 9.12116 | 0.579478 | standard |