1-Hydroxy-2-naphthoic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01046 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14) | |
| Note 1 | 16,18?15,17 | |
| Note 2 | ethanol 5.3647,3.5612,1.1154 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1-hydroxy-2-naphthoic acid | Solute | Saturated1 |
| ethanol | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 15 | 16 | 17 | 18 | 19 | 20 | |
|---|---|---|---|---|---|---|
| 15 | 7.482 | 7.161 | 0 | 8.566 | 0 | 0 |
| 16 | 0 | 7.575 | 7.49 | 0 | 0 | 0 |
| 17 | 0 | 0 | 7.77 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 8.352 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 7.273 | 8.548 |
| 20 | 0 | 0 | 0 | 0 | 0 | 7.786 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| -0.977737 | 2.125e-06 | standard |
| 7.26423 | 0.494364 | standard |
| 7.28133 | 0.525604 | standard |
| 7.46629 | 0.239356 | standard |
| 7.48144 | 0.444931 | standard |
| 7.49747 | 0.313605 | standard |
| 7.56105 | 0.298563 | standard |
| 7.57566 | 0.511163 | standard |
| 7.59007 | 0.260933 | standard |
| 7.76247 | 0.580822 | standard |
| 7.77751 | 1.00002 | standard |
| 7.79479 | 0.518037 | standard |
| 8.34363 | 0.50972 | standard |
| 8.3606 | 0.509543 | standard |
| -0.999657 | 0.000145125 | standard |
| 7.14652 | 0.225976 | standard |
| 7.36344 | 0.598192 | standard |
| 7.61008 | 0.82394 | standard |
| 7.70188 | 1.0 | standard |
| 7.91058 | 0.305458 | standard |
| 8.26454 | 0.272798 | standard |
| 8.35609 | 0.193472 | standard |
| 8.45945 | 0.18849 | standard |
| -0.996086 | 8.1125e-05 | standard |
| 7.1926 | 0.309359 | standard |
| 7.3349 | 0.580849 | standard |
| 7.45657 | 0.405569 | standard |
| 7.58259 | 0.739624 | standard |
| 7.72387 | 1.0 | standard |
| 7.86276 | 0.438534 | standard |
| 8.29202 | 0.336123 | standard |
| 8.42222 | 0.26011 | standard |
| -0.983589 | 5.0125e-05 | standard |
| 7.21434 | 0.360186 | standard |
| 7.32106 | 0.545445 | standard |
| 7.4596 | 0.387169 | standard |
| 7.52589 | 0.534715 | standard |
| 7.57917 | 0.618073 | standard |
| 7.67367 | 0.355689 | standard |
| 7.73736 | 1.0 | standard |
| 7.84038 | 0.506722 | standard |
| 8.30604 | 0.381122 | standard |
| 8.40399 | 0.312254 | standard |
| -0.996483 | 4.1125e-05 | standard |
| 7.22132 | 0.37415 | standard |
| 7.31611 | 0.535018 | standard |
| 7.38271 | 0.169784 | standard |
| 7.4621 | 0.381837 | standard |
| 7.52689 | 0.563355 | standard |
| 7.54773 | 0.516538 | standard |
| 7.58007 | 0.567782 | standard |
| 7.6581 | 0.286917 | standard |
| 7.74163 | 1.0 | standard |
| 7.83364 | 0.518917 | standard |
| 8.31094 | 0.396173 | standard |
| 8.39787 | 0.331604 | standard |
| -0.973968 | 3.3125e-05 | standard |
| 7.22683 | 0.385636 | standard |
| 7.31208 | 0.529612 | standard |
| 7.39476 | 0.15984 | standard |
| 7.46461 | 0.383205 | standard |
| 7.52782 | 0.59314 | standard |
| 7.57999 | 0.534996 | standard |
| 7.6489 | 0.260905 | standard |
| 7.74518 | 1.0 | standard |
| 7.8286 | 0.526038 | standard |
| 8.31491 | 0.411256 | standard |
| 8.39301 | 0.350241 | standard |
| -0.973571 | 1.2125e-05 | standard |
| 7.2508 | 0.585194 | standard |
| 7.2934 | 0.681293 | standard |
| 7.44044 | 0.24302 | standard |
| 7.47687 | 0.544691 | standard |
| 7.51681 | 0.536172 | standard |
| 7.54129 | 0.478422 | standard |
| 7.5772 | 0.631775 | standard |
| 7.61254 | 0.313173 | standard |
| 7.7557 | 0.992975 | standard |
| 7.76384 | 1.00001 | standard |
| 7.78942 | 0.700137 | standard |
| 7.80762 | 0.692499 | standard |
| 8.33205 | 0.652057 | standard |
| 8.37305 | 0.597847 | standard |
| -0.933996 | 6.125e-06 | standard |
| 7.2583 | 0.673689 | standard |
| 7.28677 | 0.745659 | standard |
| 7.45504 | 0.298558 | standard |
| 7.47984 | 0.615841 | standard |
| 7.50658 | 0.496336 | standard |
| 7.55207 | 0.449997 | standard |
| 7.57618 | 0.709418 | standard |
| 7.60005 | 0.355054 | standard |
| 7.75851 | 0.911902 | standard |
| 7.77249 | 1.00004 | standard |
| 7.78181 | 0.872505 | standard |
| 7.80057 | 0.744425 | standard |
| 8.33826 | 0.729709 | standard |
| 8.36623 | 0.68738 | standard |
| -0.916737 | 3.125e-06 | standard |
| 7.26206 | 0.561452 | standard |
| 7.28331 | 0.606007 | standard |
| 7.46211 | 0.259513 | standard |
| 7.48098 | 0.508196 | standard |
| 7.50098 | 0.380226 | standard |
| 7.5576 | 0.351354 | standard |
| 7.57579 | 0.584674 | standard |
| 7.59376 | 0.295798 | standard |
| 7.7609 | 0.692598 | standard |
| 7.77714 | 1.00004 | standard |
| 7.79692 | 0.599764 | standard |
| 8.34157 | 0.596646 | standard |
| 8.36273 | 0.570226 | standard |
| -0.978233 | 2.125e-06 | standard |
| 7.26423 | 0.494367 | standard |
| 7.28133 | 0.525599 | standard |
| 7.46629 | 0.239354 | standard |
| 7.48144 | 0.444895 | standard |
| 7.49747 | 0.313582 | standard |
| 7.56105 | 0.298543 | standard |
| 7.57566 | 0.511157 | standard |
| 7.59007 | 0.260924 | standard |
| 7.76247 | 0.580791 | standard |
| 7.77751 | 1.00002 | standard |
| 7.79479 | 0.518027 | standard |
| 8.34363 | 0.509719 | standard |
| 8.3606 | 0.509542 | standard |
| -0.223722 | 1.125e-06 | standard |
| 7.26571 | 0.628004 | standard |
| 7.27995 | 0.66092 | standard |
| 7.4691 | 0.30876 | standard |
| 7.48178 | 0.562275 | standard |
| 7.4951 | 0.386554 | standard |
| 7.56337 | 0.371618 | standard |
| 7.57553 | 0.645908 | standard |
| 7.58756 | 0.332178 | standard |
| 7.76361 | 0.715879 | standard |
| 7.77795 | 1.00003 | standard |
| 7.79332 | 0.650368 | standard |
| 8.34498 | 0.644206 | standard |
| 8.35914 | 0.644157 | standard |
| -0.277184 | 1.125e-06 | standard |
| 7.2668 | 0.791963 | standard |
| 7.27896 | 0.827412 | standard |
| 7.47107 | 0.393579 | standard |
| 7.48199 | 0.708249 | standard |
| 7.49337 | 0.477281 | standard |
| 7.56505 | 0.461814 | standard |
| 7.57546 | 0.812456 | standard |
| 7.58579 | 0.419623 | standard |
| 7.76444 | 0.884371 | standard |
| 7.77529 | 0.95806 | standard |
| 7.77987 | 1.0 | standard |
| 7.79224 | 0.813949 | standard |
| 8.34595 | 0.809347 | standard |
| 8.35811 | 0.809344 | standard |
| -0.336497 | 1.125e-06 | standard |
| 7.2672 | 0.83519 | standard |
| 7.27857 | 0.870046 | standard |
| 7.47186 | 0.417148 | standard |
| 7.48204 | 0.74774 | standard |
| 7.49268 | 0.499011 | standard |
| 7.56569 | 0.484058 | standard |
| 7.57546 | 0.854727 | standard |
| 7.5851 | 0.442983 | standard |
| 7.76473 | 0.924968 | standard |
| 7.7748 | 0.955695 | standard |
| 7.78036 | 1.0 | standard |
| 7.79185 | 0.85579 | standard |
| 8.34634 | 0.852309 | standard |
| 8.35771 | 0.852305 | standard |
| -0.403646 | 1.125e-06 | standard |
| 7.26759 | 0.866396 | standard |
| 7.27817 | 0.900215 | standard |
| 7.47255 | 0.434182 | standard |
| 7.48211 | 0.772908 | standard |
| 7.49204 | 0.5137 | standard |
| 7.56628 | 0.499497 | standard |
| 7.57543 | 0.885532 | standard |
| 7.58451 | 0.459235 | standard |
| 7.76502 | 0.95235 | standard |
| 7.77442 | 0.955535 | standard |
| 7.78081 | 1.00034 | standard |
| 7.79145 | 0.885621 | standard |
| 8.34674 | 0.882715 | standard |
| 8.35737 | 0.882277 | standard |
| -0.538143 | 1.125e-06 | standard |
| 7.26818 | 0.933527 | standard |
| 7.27758 | 0.933547 | standard |
| 7.47363 | 0.462411 | standard |
| 7.4822 | 0.817611 | standard |
| 7.491 | 0.53777 | standard |
| 7.56726 | 0.524835 | standard |
| 7.5754 | 0.936822 | standard |
| 7.58343 | 0.487677 | standard |
| 7.76551 | 0.997385 | standard |
| 7.77383 | 0.972892 | standard |
| 7.78144 | 1.00006 | standard |
| 7.79086 | 0.950165 | standard |
| 8.34733 | 0.932936 | standard |
| 8.35677 | 0.932352 | standard |
| -0.617393 | 1.125e-06 | standard |
| 7.26838 | 0.939091 | standard |
| 7.27738 | 0.939109 | standard |
| 7.47413 | 0.467455 | standard |
| 7.48223 | 0.818978 | standard |
| 7.49061 | 0.538825 | standard |
| 7.56771 | 0.52701 | standard |
| 7.57539 | 0.942452 | standard |
| 7.58303 | 0.491408 | standard |
| 7.76571 | 1.00015 | standard |
| 7.77362 | 0.969862 | standard |
| 7.78165 | 0.995187 | standard |
| 7.79066 | 0.954313 | standard |
| 8.34753 | 0.938892 | standard |
| 8.35653 | 0.93889 | standard |
| -0.697635 | 1.125e-06 | standard |
| 7.26868 | 0.942382 | standard |
| 7.27718 | 0.942398 | standard |
| 7.47452 | 0.469688 | standard |
| 7.4823 | 0.825172 | standard |
| 7.49021 | 0.538797 | standard |
| 7.56805 | 0.527348 | standard |
| 7.57539 | 0.944455 | standard |
| 7.58264 | 0.493789 | standard |
| 7.76591 | 1.00014 | standard |
| 7.77342 | 0.965883 | standard |
| 7.78185 | 0.989916 | standard |
| 7.79037 | 0.956481 | standard |
| 8.34773 | 0.941387 | standard |
| 8.35633 | 0.941385 | standard |
| -0.85306 | 1.125e-06 | standard |
| 7.26907 | 0.947974 | standard |
| 7.27678 | 0.947986 | standard |
| 7.47531 | 0.476384 | standard |
| 7.4823 | 0.833874 | standard |
| 7.48952 | 0.537945 | standard |
| 7.56874 | 0.529237 | standard |
| 7.57536 | 0.950888 | standard |
| 7.58195 | 0.497999 | standard |
| 7.76625 | 1.00032 | standard |
| 7.77302 | 0.962225 | standard |
| 7.78225 | 0.981963 | standard |
| 7.79007 | 0.958948 | standard |
| 8.34812 | 0.946918 | standard |
| 8.35593 | 0.946918 | standard |
| 7.26967 | 0.954502 | standard |
| 7.27619 | 0.95451 | standard |
| 7.47639 | 0.482966 | standard |
| 7.48239 | 0.831833 | standard |
| 7.48843 | 0.537311 | standard |
| 7.56973 | 0.529419 | standard |
| 7.57536 | 0.960971 | standard |
| 7.58096 | 0.502758 | standard |
| 7.76679 | 1.00013 | standard |
| 7.77252 | 0.960284 | standard |
| 7.78285 | 0.976175 | standard |
| 7.78938 | 0.963572 | standard |
| 8.34872 | 0.95332 | standard |
| 8.35534 | 0.95332 | standard |