1-4-Dihydroxy-2-naphthoic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01086 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15) | |
| Note 1 | 16,18?17,19 | |
| Note 2 | ethanol 5.3661,3.5599,1.1148 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1,4-dihydroxy-2-naphthanoic acid | Solute | Saturated1 |
| ethanol | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 16 | 17 | 18 | 19 | 20 | |
|---|---|---|---|---|---|
| 16 | 7.553 | 6.982 | 1.471 | 8.209 | 0 |
| 17 | 0 | 7.476 | 8.462 | 1.296 | 0 |
| 18 | 0 | 0 | 8.169 | 0 | 0 |
| 19 | 0 | 0 | 0 | 8.301 | 0 |
| 20 | 0 | 0 | 0 | 0 | 7.203 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
Help
To zoom into a region, draw a box around it.Hover over the x/y-axis and use mouse-wheel to zoom in/out.
Hover over the x/y-axis hold down left-button to move around the spectra.
(De)activate a spectrum by clicking on its legend.
| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.2029 | 1.0 | standard |
| 7.45876 | 0.151233 | standard |
| 7.46035 | 0.154734 | standard |
| 7.47474 | 0.336221 | standard |
| 7.48928 | 0.223224 | standard |
| 7.4911 | 0.218947 | standard |
| 7.53684 | 0.199266 | standard |
| 7.53936 | 0.205604 | standard |
| 7.55318 | 0.332956 | standard |
| 7.56711 | 0.155179 | standard |
| 7.56948 | 0.149609 | standard |
| 8.15943 | 0.344634 | standard |
| 8.16179 | 0.347009 | standard |
| 8.1762 | 0.329411 | standard |
| 8.17864 | 0.32694 | standard |
| 8.29249 | 0.361124 | standard |
| 8.29421 | 0.362224 | standard |
| 8.30885 | 0.35028 | standard |
| 8.31047 | 0.348953 | standard |
| -0.997376 | 6.8125e-05 | standard |
| 7.20298 | 1.0 | standard |
| 7.37795 | 0.386818 | standard |
| 7.43071 | 0.307421 | standard |
| 7.50778 | 0.463939 | standard |
| 7.56226 | 0.400779 | standard |
| 7.61686 | 0.572051 | standard |
| 7.72881 | 0.146863 | standard |
| 8.06194 | 0.407488 | standard |
| 8.13798 | 0.291336 | standard |
| 8.19437 | 0.567299 | standard |
| 8.313 | 0.427779 | standard |
| 8.37054 | 0.209184 | standard |
| 8.43373 | 0.223595 | standard |
| -0.988151 | 3.1125e-05 | standard |
| 7.20291 | 1.0 | standard |
| 7.30035 | 0.0693101 | standard |
| 7.33566 | 0.0890695 | standard |
| 7.44088 | 0.396458 | standard |
| 7.50936 | 0.549055 | standard |
| 7.57184 | 0.521623 | standard |
| 7.59829 | 0.430824 | standard |
| 7.67427 | 0.123388 | standard |
| 8.00041 | 0.0352901 | standard |
| 8.09387 | 0.357971 | standard |
| 8.13558 | 0.238252 | standard |
| 8.17744 | 0.292395 | standard |
| 8.22797 | 0.485782 | standard |
| 8.25936 | 0.449121 | standard |
| 8.29789 | 0.257646 | standard |
| 8.35199 | 0.198045 | standard |
| 8.38619 | 0.246569 | standard |
| -0.954131 | 1.7125e-05 | standard |
| 7.20291 | 1.0 | standard |
| 7.37276 | 0.0872679 | standard |
| 7.43812 | 0.284686 | standard |
| 7.46191 | 0.44333 | standard |
| 7.51167 | 0.572141 | standard |
| 7.55641 | 0.550095 | standard |
| 7.58524 | 0.357081 | standard |
| 7.64474 | 0.117617 | standard |
| 7.67002 | 0.0671992 | standard |
| 8.02551 | 0.0225001 | standard |
| 8.1114 | 0.337597 | standard |
| 8.13964 | 0.23368 | standard |
| 8.15716 | 0.212655 | standard |
| 8.20671 | 0.246131 | standard |
| 8.24254 | 0.491342 | standard |
| 8.26707 | 0.287161 | standard |
| 8.32184 | 0.191191 | standard |
| 8.34048 | 0.206278 | standard |
| 8.36369 | 0.260043 | standard |
| -0.983986 | 1.4125e-05 | standard |
| 7.20291 | 1.0 | standard |
| 7.38481 | 0.089332 | standard |
| 7.44339 | 0.273175 | standard |
| 7.46913 | 0.394339 | standard |
| 7.5123 | 0.57368 | standard |
| 7.55129 | 0.486144 | standard |
| 7.58056 | 0.334835 | standard |
| 7.6346 | 0.117228 | standard |
| 7.65617 | 0.072498 | standard |
| 8.03423 | 0.0186041 | standard |
| 8.1174 | 0.336033 | standard |
| 8.14152 | 0.238868 | standard |
| 8.20444 | 0.234777 | standard |
| 8.22797 | 0.322875 | standard |
| 8.25152 | 0.389339 | standard |
| 8.26934 | 0.279151 | standard |
| 8.3246 | 0.195618 | standard |
| 8.33645 | 0.214806 | standard |
| 8.35632 | 0.266064 | standard |
| -0.947981 | 1.1125e-05 | standard |
| 7.2029 | 1.0 | standard |
| 7.39442 | 0.0900231 | standard |
| 7.44772 | 0.265922 | standard |
| 7.46726 | 0.323525 | standard |
| 7.47761 | 0.336537 | standard |
| 7.51279 | 0.572913 | standard |
| 7.54431 | 0.41036 | standard |
| 7.57697 | 0.318873 | standard |
| 7.62651 | 0.11742 | standard |
| 7.64525 | 0.0775311 | standard |
| 8.04103 | 0.015569 | standard |
| 8.12238 | 0.333253 | standard |
| 8.14357 | 0.24805 | standard |
| 8.20002 | 0.227689 | standard |
| 8.2208 | 0.303773 | standard |
| 8.25674 | 0.368161 | standard |
| 8.27306 | 0.271901 | standard |
| 8.33288 | 0.225468 | standard |
| 8.35048 | 0.271584 | standard |
| -0.907414 | 3.125e-06 | standard |
| 7.2029 | 1.0 | standard |
| 7.43107 | 0.108515 | standard |
| 7.43627 | 0.118829 | standard |
| 7.4707 | 0.294233 | standard |
| 7.50523 | 0.323753 | standard |
| 7.51332 | 0.441957 | standard |
| 7.52323 | 0.295649 | standard |
| 7.55474 | 0.28848 | standard |
| 7.56138 | 0.28759 | standard |
| 7.58943 | 0.131544 | standard |
| 7.59655 | 0.115508 | standard |
| 8.10163 | 0.010391 | standard |
| 8.14534 | 0.33394 | standard |
| 8.15337 | 0.326616 | standard |
| 8.18573 | 0.301173 | standard |
| 8.19378 | 0.300678 | standard |
| 8.23137 | 0.018027 | standard |
| 8.279 | 0.347229 | standard |
| 8.28553 | 0.34005 | standard |
| 8.3184 | 0.307276 | standard |
| 8.32502 | 0.311521 | standard |
| -0.274803 | 1.125e-06 | standard |
| 7.2029 | 1.0 | standard |
| 7.44678 | 0.130425 | standard |
| 7.4498 | 0.136573 | standard |
| 7.47332 | 0.322348 | standard |
| 7.49705 | 0.25141 | standard |
| 7.50071 | 0.243002 | standard |
| 7.5269 | 0.218885 | standard |
| 7.53151 | 0.230585 | standard |
| 7.55407 | 0.314558 | standard |
| 7.57692 | 0.142932 | standard |
| 7.58122 | 0.133276 | standard |
| 8.15312 | 0.341229 | standard |
| 8.15764 | 0.343811 | standard |
| 8.18071 | 0.319429 | standard |
| 8.18523 | 0.316177 | standard |
| 8.28654 | 0.357449 | standard |
| 8.28992 | 0.357528 | standard |
| 8.31331 | 0.331255 | standard |
| 8.31687 | 0.330429 | standard |
| -0.711818 | 1.125e-06 | standard |
| 7.2029 | 1.0 | standard |
| 7.45438 | 0.143623 | standard |
| 7.4564 | 0.147894 | standard |
| 7.47425 | 0.332433 | standard |
| 7.49235 | 0.235192 | standard |
| 7.49462 | 0.229746 | standard |
| 7.53307 | 0.207084 | standard |
| 7.53622 | 0.215129 | standard |
| 7.55351 | 0.327704 | standard |
| 7.57083 | 0.150605 | standard |
| 7.57383 | 0.143783 | standard |
| 8.15712 | 0.34428 | standard |
| 8.16019 | 0.346806 | standard |
| 8.17796 | 0.327751 | standard |
| 8.18104 | 0.324916 | standard |
| 8.29032 | 0.36234 | standard |
| 8.2925 | 0.36328 | standard |
| 8.31053 | 0.340929 | standard |
| 8.31291 | 0.339578 | standard |
| 7.2029 | 1.0 | standard |
| 7.45876 | 0.151217 | standard |
| 7.46035 | 0.15472 | standard |
| 7.47474 | 0.336208 | standard |
| 7.48932 | 0.226377 | standard |
| 7.49092 | 0.22253 | standard |
| 7.53697 | 0.201771 | standard |
| 7.53933 | 0.207811 | standard |
| 7.55318 | 0.332936 | standard |
| 7.56711 | 0.155164 | standard |
| 7.56948 | 0.149594 | standard |
| 8.15943 | 0.344611 | standard |
| 8.16179 | 0.346996 | standard |
| 8.17623 | 0.333399 | standard |
| 8.17851 | 0.331073 | standard |
| 8.29249 | 0.361067 | standard |
| 8.29421 | 0.362168 | standard |
| 8.30885 | 0.35023 | standard |
| 8.31047 | 0.348902 | standard |
| 7.2029 | 1.0 | standard |
| 7.46157 | 0.157899 | standard |
| 7.46302 | 0.1613 | standard |
| 7.47501 | 0.339353 | standard |
| 7.48714 | 0.217101 | standard |
| 7.48859 | 0.213513 | standard |
| 7.53951 | 0.202568 | standard |
| 7.54134 | 0.207359 | standard |
| 7.55303 | 0.333414 | standard |
| 7.56471 | 0.15712 | standard |
| 7.56654 | 0.152572 | standard |
| 8.16108 | 0.347768 | standard |
| 8.16291 | 0.349911 | standard |
| 8.17504 | 0.341051 | standard |
| 8.17686 | 0.33614 | standard |
| 8.29402 | 0.356696 | standard |
| 8.29535 | 0.357972 | standard |
| 8.30763 | 0.357962 | standard |
| 8.30897 | 0.356669 | standard |
| 7.2029 | 1.0 | standard |
| 7.46374 | 0.163905 | standard |
| 7.46481 | 0.1667 | standard |
| 7.47512 | 0.339182 | standard |
| 7.48564 | 0.211552 | standard |
| 7.48672 | 0.208774 | standard |
| 7.54132 | 0.196462 | standard |
| 7.54298 | 0.200874 | standard |
| 7.55296 | 0.339259 | standard |
| 7.56287 | 0.158375 | standard |
| 7.56454 | 0.154067 | standard |
| 8.16211 | 0.337216 | standard |
| 8.16377 | 0.339192 | standard |
| 8.17423 | 0.345371 | standard |
| 8.17571 | 0.343603 | standard |
| 8.29507 | 0.358983 | standard |
| 8.29614 | 0.360363 | standard |
| 8.30674 | 0.360341 | standard |
| 8.30782 | 0.358959 | standard |
| 7.2029 | 1.0 | standard |
| 7.46448 | 0.164022 | standard |
| 7.46554 | 0.166817 | standard |
| 7.47523 | 0.340047 | standard |
| 7.48507 | 0.213418 | standard |
| 7.48586 | 0.21125 | standard |
| 7.54211 | 0.196941 | standard |
| 7.54357 | 0.200944 | standard |
| 7.55295 | 0.337158 | standard |
| 7.56215 | 0.158412 | standard |
| 7.56379 | 0.154025 | standard |
| 8.1626 | 0.34078 | standard |
| 8.16406 | 0.342664 | standard |
| 8.17379 | 0.342681 | standard |
| 8.17525 | 0.3408 | standard |
| 8.29552 | 0.356581 | standard |
| 8.29659 | 0.358121 | standard |
| 8.3064 | 0.358104 | standard |
| 8.30747 | 0.356561 | standard |
| 7.2029 | 1.0 | standard |
| 7.46536 | 0.169287 | standard |
| 7.4661 | 0.171438 | standard |
| 7.47521 | 0.340205 | standard |
| 7.48439 | 0.2064 | standard |
| 7.48542 | 0.2036 | standard |
| 7.54268 | 0.194494 | standard |
| 7.54409 | 0.198453 | standard |
| 7.55284 | 0.338606 | standard |
| 7.56157 | 0.161236 | standard |
| 7.56298 | 0.157281 | standard |
| 8.16297 | 0.339023 | standard |
| 8.16438 | 0.340968 | standard |
| 8.17347 | 0.340982 | standard |
| 8.17489 | 0.33904 | standard |
| 8.29596 | 0.365258 | standard |
| 8.29674 | 0.366388 | standard |
| 8.30607 | 0.356888 | standard |
| 8.3071 | 0.355389 | standard |
| 7.2029 | 1.0 | standard |
| 7.46638 | 0.167192 | standard |
| 7.46727 | 0.169748 | standard |
| 7.47534 | 0.339798 | standard |
| 7.48347 | 0.204331 | standard |
| 7.48436 | 0.201842 | standard |
| 7.54388 | 0.19655 | standard |
| 7.54497 | 0.199871 | standard |
| 7.55277 | 0.341425 | standard |
| 7.56069 | 0.165956 | standard |
| 7.56178 | 0.162658 | standard |
| 8.16364 | 0.338074 | standard |
| 8.16491 | 0.340015 | standard |
| 8.17309 | 0.348217 | standard |
| 8.17418 | 0.346435 | standard |
| 8.29645 | 0.356539 | standard |
| 8.29733 | 0.357991 | standard |
| 8.30555 | 0.35798 | standard |
| 8.30644 | 0.356529 | standard |
| 7.2029 | 1.0 | standard |
| 7.46688 | 0.169109 | standard |
| 7.46767 | 0.17145 | standard |
| 7.47534 | 0.337772 | standard |
| 7.48308 | 0.204542 | standard |
| 7.48386 | 0.202238 | standard |
| 7.54423 | 0.191333 | standard |
| 7.54541 | 0.194935 | standard |
| 7.55279 | 0.33914 | standard |
| 7.56015 | 0.163662 | standard |
| 7.56134 | 0.160008 | standard |
| 8.16393 | 0.33902 | standard |
| 8.16511 | 0.340975 | standard |
| 8.17275 | 0.340983 | standard |
| 8.17393 | 0.33903 | standard |
| 8.29675 | 0.35893 | standard |
| 8.29753 | 0.360297 | standard |
| 8.30535 | 0.360288 | standard |
| 8.30614 | 0.35892 | standard |
| 7.2029 | 1.0 | standard |
| 7.46739 | 0.171667 | standard |
| 7.46806 | 0.173812 | standard |
| 7.47534 | 0.339744 | standard |
| 7.48263 | 0.199533 | standard |
| 7.48354 | 0.196752 | standard |
| 7.54472 | 0.191584 | standard |
| 7.54581 | 0.195053 | standard |
| 7.55279 | 0.341116 | standard |
| 7.55985 | 0.164878 | standard |
| 7.56094 | 0.161468 | standard |
| 8.16413 | 0.340604 | standard |
| 8.16521 | 0.342396 | standard |
| 8.17264 | 0.342404 | standard |
| 8.17373 | 0.340612 | standard |
| 8.29705 | 0.362767 | standard |
| 8.29772 | 0.364017 | standard |
| 8.30516 | 0.36401 | standard |
| 8.30583 | 0.362758 | standard |
| 7.2029 | 1.0 | standard |
| 7.46814 | 0.171788 | standard |
| 7.46879 | 0.174031 | standard |
| 7.4754 | 0.343726 | standard |
| 7.48205 | 0.202708 | standard |
| 7.4827 | 0.200489 | standard |
| 7.54538 | 0.18805 | standard |
| 7.54644 | 0.191656 | standard |
| 7.55278 | 0.33823 | standard |
| 7.55913 | 0.164809 | standard |
| 7.56018 | 0.161145 | standard |
| 8.16459 | 0.337181 | standard |
| 8.16564 | 0.339186 | standard |
| 8.17222 | 0.339192 | standard |
| 8.17327 | 0.337187 | standard |
| 8.29741 | 0.360083 | standard |
| 8.29806 | 0.361413 | standard |
| 8.30482 | 0.361409 | standard |
| 8.30548 | 0.360076 | standard |
| 7.2029 | 1.0 | standard |
| 7.46931 | 0.174939 | standard |
| 7.4698 | 0.176961 | standard |
| 7.47545 | 0.336359 | standard |
| 7.48114 | 0.201368 | standard |
| 7.48164 | 0.199365 | standard |
| 7.54643 | 0.184928 | standard |
| 7.54735 | 0.188333 | standard |
| 7.55274 | 0.347513 | standard |
| 7.55811 | 0.165738 | standard |
| 7.55903 | 0.162133 | standard |
| 8.1653 | 0.347377 | standard |
| 8.16603 | 0.348996 | standard |
| 8.17169 | 0.33759 | standard |
| 8.17261 | 0.335571 | standard |
| 8.29807 | 0.362868 | standard |
| 8.29858 | 0.36413 | standard |
| 8.3043 | 0.364126 | standard |
| 8.30482 | 0.362864 | standard |