Salicylhydroxamic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01391 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10) | |
| Note 1 | 12,14?13,15 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Salicylhydroxamic Acid | Solute | 100mM |
| methanol | Solvent | 100% |
| TMS | Reference | 0.05mM |
Spin System Matrix
| 12 | 13 | 14 | 15 | |
|---|---|---|---|---|
| 12 | 6.878 | 6.787 | 1.306 | 7.466 |
| 13 | 0 | 7.37 | 8.122 | 1.528 |
| 14 | 0 | 0 | 6.906 | 0 |
| 15 | 0 | 0 | 0 | 7.649 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.86458 | 0.467661 | standard |
| 6.87834 | 0.901551 | standard |
| 6.8969 | 1.00001 | standard |
| 6.91335 | 0.95122 | standard |
| 7.35415 | 0.44971 | standard |
| 7.35652 | 0.457829 | standard |
| 7.37023 | 0.822414 | standard |
| 7.38393 | 0.407804 | standard |
| 7.3863 | 0.399667 | standard |
| 7.64099 | 0.823014 | standard |
| 7.64335 | 0.830316 | standard |
| 7.65583 | 0.830306 | standard |
| 7.65819 | 0.823008 | standard |
| -0.996384 | 3.9125e-05 | standard |
| 6.66705 | 0.153774 | standard |
| 6.7051 | 0.189779 | standard |
| 6.81482 | 0.497087 | standard |
| 6.86451 | 0.52768 | standard |
| 7.00926 | 1.0 | standard |
| 7.20613 | 0.408781 | standard |
| 7.24426 | 0.499048 | standard |
| 7.35807 | 0.319379 | standard |
| 7.42144 | 0.356124 | standard |
| 7.55594 | 0.719863 | standard |
| 7.7294 | 0.401923 | standard |
| -0.971091 | 1.7125e-05 | standard |
| 6.76222 | 0.215165 | standard |
| 6.84695 | 0.637521 | standard |
| 6.97278 | 1.0 | standard |
| 7.25308 | 0.348109 | standard |
| 7.27523 | 0.394313 | standard |
| 7.35989 | 0.308838 | standard |
| 7.39577 | 0.394334 | standard |
| 7.49787 | 0.173324 | standard |
| 7.52087 | 0.193008 | standard |
| 7.58296 | 0.583684 | standard |
| 7.70322 | 0.433086 | standard |
| -0.937963 | 9.125e-06 | standard |
| 6.79137 | 0.219335 | standard |
| 6.86183 | 0.739167 | standard |
| 6.95492 | 1.0 | standard |
| 7.27926 | 0.306729 | standard |
| 7.29497 | 0.33621 | standard |
| 7.36261 | 0.304197 | standard |
| 7.3857 | 0.393247 | standard |
| 7.46328 | 0.164047 | standard |
| 7.47908 | 0.167162 | standard |
| 7.59835 | 0.520468 | standard |
| 7.69053 | 0.429292 | standard |
| -0.926458 | 7.125e-06 | standard |
| 6.80114 | 0.21995 | standard |
| 6.86664 | 0.791464 | standard |
| 6.9486 | 1.0 | standard |
| 7.28837 | 0.29298 | standard |
| 7.30211 | 0.317896 | standard |
| 7.38274 | 0.389242 | standard |
| 7.45224 | 0.165336 | standard |
| 7.46613 | 0.167577 | standard |
| 7.60363 | 0.499749 | standard |
| 7.68634 | 0.424317 | standard |
| -0.964942 | 6.125e-06 | standard |
| 6.80898 | 0.2208 | standard |
| 6.86999 | 0.846078 | standard |
| 6.94338 | 1.00001 | standard |
| 7.29582 | 0.282382 | standard |
| 7.30817 | 0.304222 | standard |
| 7.38034 | 0.387583 | standard |
| 7.44356 | 0.167946 | standard |
| 7.45583 | 0.169719 | standard |
| 7.60783 | 0.483942 | standard |
| 7.68299 | 0.423259 | standard |
| -0.947088 | 2.125e-06 | standard |
| 6.84402 | 0.259771 | standard |
| 6.88145 | 1.0 | standard |
| 6.92312 | 0.719235 | standard |
| 7.33143 | 0.281038 | standard |
| 7.33725 | 0.293155 | standard |
| 7.37137 | 0.467121 | standard |
| 7.40555 | 0.214101 | standard |
| 7.41159 | 0.21384 | standard |
| 7.62876 | 0.491909 | standard |
| 7.6347 | 0.484436 | standard |
| 7.66534 | 0.457932 | standard |
| 7.67107 | 0.454975 | standard |
| -0.436378 | 1.125e-06 | standard |
| 6.85549 | 0.440589 | standard |
| 6.87886 | 0.937674 | standard |
| 6.89078 | 0.996459 | standard |
| 6.90248 | 0.680283 | standard |
| 6.9179 | 1.00007 | standard |
| 7.34392 | 0.455195 | standard |
| 7.34776 | 0.463275 | standard |
| 7.37057 | 0.789381 | standard |
| 7.39348 | 0.382236 | standard |
| 7.39733 | 0.374186 | standard |
| 7.63542 | 0.824739 | standard |
| 7.63933 | 0.824276 | standard |
| 7.66014 | 0.783543 | standard |
| 7.66397 | 0.776227 | standard |
| -0.97367 | 1.125e-06 | standard |
| 6.86115 | 0.339553 | standard |
| 6.87839 | 0.680501 | standard |
| 6.8949 | 1.00004 | standard |
| 6.89635 | 0.989203 | standard |
| 6.91504 | 0.72819 | standard |
| 7.35027 | 0.338911 | standard |
| 7.35328 | 0.345219 | standard |
| 7.37032 | 0.612066 | standard |
| 7.3875 | 0.301451 | standard |
| 7.39035 | 0.295485 | standard |
| 7.6389 | 0.628495 | standard |
| 7.64182 | 0.633775 | standard |
| 7.65748 | 0.609007 | standard |
| 7.66031 | 0.60352 | standard |
| 6.86458 | 0.46803 | standard |
| 6.87834 | 0.902336 | standard |
| 6.8969 | 1.00001 | standard |
| 6.91337 | 0.957909 | standard |
| 7.35415 | 0.450044 | standard |
| 7.35652 | 0.458169 | standard |
| 7.37023 | 0.823065 | standard |
| 7.38393 | 0.40812 | standard |
| 7.38631 | 0.399978 | standard |
| 7.64099 | 0.823654 | standard |
| 7.64335 | 0.830963 | standard |
| 7.65583 | 0.830952 | standard |
| 7.65819 | 0.823648 | standard |
| 6.86683 | 0.495156 | standard |
| 6.87818 | 0.953567 | standard |
| 6.89068 | 0.566371 | standard |
| 6.89864 | 0.967923 | standard |
| 6.91222 | 1.0002 | standard |
| 7.35676 | 0.473994 | standard |
| 7.35876 | 0.482749 | standard |
| 7.37019 | 0.881111 | standard |
| 7.38163 | 0.44427 | standard |
| 7.38346 | 0.436213 | standard |
| 7.64242 | 0.882735 | standard |
| 7.64434 | 0.889651 | standard |
| 7.65478 | 0.883701 | standard |
| 7.65677 | 0.875918 | standard |
| 6.86846 | 0.503327 | standard |
| 6.8782 | 0.950339 | standard |
| 6.88874 | 0.542446 | standard |
| 6.89985 | 0.969807 | standard |
| 6.91141 | 1.00006 | standard |
| 7.35862 | 0.468352 | standard |
| 7.36029 | 0.480949 | standard |
| 7.37008 | 0.88472 | standard |
| 7.37988 | 0.45291 | standard |
| 7.38155 | 0.444434 | standard |
| 7.64336 | 0.882841 | standard |
| 7.64503 | 0.890331 | standard |
| 7.65405 | 0.890338 | standard |
| 7.65572 | 0.882841 | standard |
| 6.86918 | 0.510297 | standard |
| 6.8782 | 0.961866 | standard |
| 6.88806 | 0.533802 | standard |
| 6.90018 | 0.960161 | standard |
| 6.91097 | 1.00015 | standard |
| 7.35937 | 0.470579 | standard |
| 7.361 | 0.479733 | standard |
| 7.37008 | 0.893629 | standard |
| 7.37929 | 0.466643 | standard |
| 7.38076 | 0.458563 | standard |
| 7.64386 | 0.910268 | standard |
| 7.64533 | 0.917653 | standard |
| 7.65375 | 0.917659 | standard |
| 7.65522 | 0.910267 | standard |
| 6.86965 | 0.510472 | standard |
| 6.87825 | 0.957577 | standard |
| 6.88654 | 0.490906 | standard |
| 6.88752 | 0.508187 | standard |
| 6.90056 | 0.93903 | standard |
| 6.90153 | 0.906805 | standard |
| 6.9108 | 1.0 | standard |
| 7.36007 | 0.468469 | standard |
| 7.36149 | 0.476843 | standard |
| 7.37008 | 0.874651 | standard |
| 7.37867 | 0.457697 | standard |
| 7.38009 | 0.449398 | standard |
| 7.6441 | 0.873217 | standard |
| 7.64567 | 0.881423 | standard |
| 7.65341 | 0.881428 | standard |
| 7.65498 | 0.873217 | standard |
| 6.87056 | 0.528413 | standard |
| 6.87808 | 0.987295 | standard |
| 6.88558 | 0.505244 | standard |
| 6.88645 | 0.519014 | standard |
| 6.90126 | 0.993542 | standard |
| 6.91026 | 1.00043 | standard |
| 7.36113 | 0.47204 | standard |
| 7.36241 | 0.48062 | standard |
| 7.37003 | 0.913299 | standard |
| 7.37766 | 0.480498 | standard |
| 7.37893 | 0.471966 | standard |
| 7.64473 | 0.904904 | standard |
| 7.64608 | 0.914634 | standard |
| 7.65301 | 0.924248 | standard |
| 7.65428 | 0.916488 | standard |
| 6.871 | 0.514941 | standard |
| 6.87814 | 0.974705 | standard |
| 6.88589 | 0.532317 | standard |
| 6.90156 | 1.0001 | standard |
| 6.91004 | 0.98691 | standard |
| 7.36162 | 0.471022 | standard |
| 7.36281 | 0.479461 | standard |
| 7.37003 | 0.913606 | standard |
| 7.37725 | 0.479466 | standard |
| 7.37844 | 0.471026 | standard |
| 7.64499 | 0.914006 | standard |
| 7.64617 | 0.921445 | standard |
| 7.65278 | 0.901189 | standard |
| 7.65412 | 0.892758 | standard |
| 6.8714 | 0.522529 | standard |
| 6.87814 | 0.990981 | standard |
| 6.88494 | 0.513578 | standard |
| 6.88554 | 0.523319 | standard |
| 6.90173 | 0.998646 | standard |
| 6.90985 | 1.00061 | standard |
| 7.36198 | 0.464527 | standard |
| 7.36324 | 0.474127 | standard |
| 7.37002 | 0.913725 | standard |
| 7.37695 | 0.484564 | standard |
| 7.37805 | 0.476368 | standard |
| 7.64522 | 0.91148 | standard |
| 7.64639 | 0.920802 | standard |
| 7.65271 | 0.931949 | standard |
| 7.65379 | 0.924658 | standard |
| 6.87201 | 0.514915 | standard |
| 6.87815 | 0.976487 | standard |
| 6.88423 | 0.50527 | standard |
| 6.88488 | 0.513882 | standard |
| 6.90223 | 1.00045 | standard |
| 6.90953 | 0.985505 | standard |
| 7.36278 | 0.468099 | standard |
| 7.36384 | 0.477095 | standard |
| 7.37003 | 0.909609 | standard |
| 7.37623 | 0.477098 | standard |
| 7.37729 | 0.468102 | standard |
| 7.64565 | 0.908318 | standard |
| 7.6467 | 0.916171 | standard |
| 7.65238 | 0.916175 | standard |
| 7.65343 | 0.908322 | standard |
| 6.87292 | 0.521862 | standard |
| 6.87817 | 0.993804 | standard |
| 6.88321 | 0.493579 | standard |
| 6.88395 | 0.500424 | standard |
| 6.90278 | 0.997154 | standard |
| 6.90324 | 0.980781 | standard |
| 6.90902 | 1.0 | standard |
| 7.36383 | 0.471085 | standard |
| 7.36475 | 0.480006 | standard |
| 7.37003 | 0.916824 | standard |
| 7.37531 | 0.480008 | standard |
| 7.37623 | 0.471087 | standard |
| 7.64621 | 0.914557 | standard |
| 7.64713 | 0.922556 | standard |
| 7.65195 | 0.922559 | standard |
| 7.65287 | 0.914559 | standard |