1-Naphthalenemethanol
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01875 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2 | |
| Note 1 | Ethanol large peak @5.3338? (water?) | |
| Note 2 | cosy,hsqc available | |
| Note 3 | cosy gives aromatic connectivity |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1_naphthalenemethanol | Solute | Saturated1 |
| ethanol | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 13 | 14 | 19 | 16 | 18 | 15 | 17 | 20 | 21 | |
|---|---|---|---|---|---|---|---|---|---|
| 13 | 7.483 | 7.482 | 0 | 8.626 | 0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 7.451 | 8.377 | 0 | 0 | 0 | 0 | 0 | 0 |
| 19 | 0 | 0 | 7.837 | 0 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 8.083 | 0 | 0 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 7.54 | 6.862 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 0 | 7.408 | 8.186 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 0 | 0 | 7.755 | 0 | 0 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5.071 | -12.4 |
| 21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5.071 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 5.07139 | 1.0 | standard |
| 7.39257 | 0.115896 | standard |
| 7.40697 | 0.196243 | standard |
| 7.4226 | 0.158231 | standard |
| 7.43337 | 0.0923173 | standard |
| 7.44853 | 0.22105 | standard |
| 7.46434 | 0.226186 | standard |
| 7.46923 | 0.221561 | standard |
| 7.48554 | 0.220801 | standard |
| 7.50066 | 0.093416 | standard |
| 7.5335 | 0.284247 | standard |
| 7.54722 | 0.233489 | standard |
| 7.7472 | 0.266883 | standard |
| 7.7635 | 0.244831 | standard |
| 7.80961 | 0.00715804 | standard |
| 7.82962 | 0.251289 | standard |
| 7.84551 | 0.234041 | standard |
| 8.05519 | 0.00642013 | standard |
| 8.0753 | 0.24536 | standard |
| 8.09169 | 0.2349 | standard |
| 8.11165 | 0.005999 | standard |
| -0.98706 | 4.1125e-05 | standard |
| 5.07139 | 1.0 | standard |
| 7.18183 | 0.0570381 | standard |
| 7.33571 | 0.312426 | standard |
| 7.41323 | 0.268629 | standard |
| 7.51346 | 0.989302 | standard |
| 7.67429 | 0.478227 | standard |
| 7.74871 | 0.355055 | standard |
| 7.84806 | 0.237498 | standard |
| 7.89146 | 0.235574 | standard |
| 7.98955 | 0.279907 | standard |
| 8.14542 | 0.111956 | standard |
| 8.20984 | 0.113626 | standard |
| -0.969405 | 1.8125e-05 | standard |
| 5.07139 | 1.0 | standard |
| 7.25962 | 0.065358 | standard |
| 7.38105 | 0.349769 | standard |
| 7.50121 | 0.816766 | standard |
| 7.60471 | 0.226256 | standard |
| 7.70448 | 0.336606 | standard |
| 7.78011 | 0.260841 | standard |
| 7.82609 | 0.260102 | standard |
| 7.92079 | 0.151185 | standard |
| 8.02047 | 0.20276 | standard |
| 8.10912 | 0.102713 | standard |
| 8.13888 | 0.108776 | standard |
| 8.1625 | 0.126271 | standard |
| -0.946692 | 1.0125e-05 | standard |
| 5.07139 | 1.0 | standard |
| 7.29944 | 0.0739011 | standard |
| 7.40762 | 0.324897 | standard |
| 7.47733 | 0.546494 | standard |
| 7.51152 | 0.765372 | standard |
| 7.59102 | 0.209008 | standard |
| 7.71521 | 0.320442 | standard |
| 7.807 | 0.324887 | standard |
| 7.89567 | 0.135737 | standard |
| 7.95518 | 0.0487161 | standard |
| 7.98067 | 0.0554301 | standard |
| 8.03533 | 0.186405 | standard |
| 8.08095 | 0.11021 | standard |
| 8.14067 | 0.134743 | standard |
| 8.19016 | 0.0271491 | standard |
| -0.946493 | 8.125e-06 | standard |
| 5.07139 | 1.0 | standard |
| 7.31249 | 0.0770211 | standard |
| 7.41721 | 0.318013 | standard |
| 7.47214 | 0.509924 | standard |
| 7.51088 | 0.717472 | standard |
| 7.58395 | 0.197585 | standard |
| 7.71874 | 0.315788 | standard |
| 7.80093 | 0.365128 | standard |
| 7.88818 | 0.137774 | standard |
| 7.93564 | 0.0337121 | standard |
| 7.96837 | 0.0357091 | standard |
| 7.99302 | 0.04696 | standard |
| 8.04039 | 0.184358 | standard |
| 8.08525 | 0.113469 | standard |
| 8.13362 | 0.138872 | standard |
| 8.17845 | 0.0276271 | standard |
| -0.99083 | 7.125e-06 | standard |
| 5.07139 | 1.0 | standard |
| 7.32278 | 0.0798416 | standard |
| 7.394 | 0.243932 | standard |
| 7.42425 | 0.317663 | standard |
| 7.46797 | 0.485263 | standard |
| 7.51119 | 0.633293 | standard |
| 7.57959 | 0.189448 | standard |
| 7.72142 | 0.30833 | standard |
| 7.79981 | 0.381669 | standard |
| 7.8394 | 0.136363 | standard |
| 7.88241 | 0.14021 | standard |
| 7.95102 | 0.0213521 | standard |
| 8.0022 | 0.0435112 | standard |
| 8.04449 | 0.183111 | standard |
| 8.08594 | 0.119068 | standard |
| 8.12816 | 0.142534 | standard |
| 8.16843 | 0.0279731 | standard |
| -0.937566 | 2.125e-06 | standard |
| 5.07139 | 1.0 | standard |
| 7.36755 | 0.098074 | standard |
| 7.40375 | 0.244118 | standard |
| 7.44204 | 0.409856 | standard |
| 7.46576 | 0.314168 | standard |
| 7.48178 | 0.226966 | standard |
| 7.49111 | 0.259052 | standard |
| 7.52542 | 0.378223 | standard |
| 7.55919 | 0.202744 | standard |
| 7.73625 | 0.285915 | standard |
| 7.77648 | 0.236118 | standard |
| 7.81863 | 0.205255 | standard |
| 7.83216 | 0.105179 | standard |
| 7.84427 | 0.0977919 | standard |
| 7.85832 | 0.16749 | standard |
| 8.01941 | 0.009976 | standard |
| 8.04118 | 0.0320636 | standard |
| 8.06364 | 0.191606 | standard |
| 8.07736 | 0.0976307 | standard |
| 8.09065 | 0.0926276 | standard |
| 8.10456 | 0.169429 | standard |
| 8.12661 | 0.026265 | standard |
| -0.761808 | 1.125e-06 | standard |
| 5.07139 | 1.0 | standard |
| 7.38168 | 0.107175 | standard |
| 7.40565 | 0.204147 | standard |
| 7.42104 | 0.101062 | standard |
| 7.43157 | 0.194705 | standard |
| 7.4456 | 0.222203 | standard |
| 7.46645 | 0.32788 | standard |
| 7.48807 | 0.224187 | standard |
| 7.5131 | 0.0926058 | standard |
| 7.52957 | 0.30776 | standard |
| 7.55241 | 0.219399 | standard |
| 7.74214 | 0.275632 | standard |
| 7.7692 | 0.23909 | standard |
| 7.80557 | 0.024678 | standard |
| 7.82469 | 0.21805 | standard |
| 7.8511 | 0.191504 | standard |
| 7.86949 | 0.0181244 | standard |
| 8.03156 | 0.00527013 | standard |
| 8.05127 | 0.0205832 | standard |
| 8.07009 | 0.208224 | standard |
| 8.09728 | 0.192257 | standard |
| 8.11596 | 0.0179588 | standard |
| 5.07139 | 1.0 | standard |
| 7.38851 | 0.112481 | standard |
| 7.40654 | 0.198983 | standard |
| 7.42637 | 0.202539 | standard |
| 7.4475 | 0.21526 | standard |
| 7.46672 | 0.354018 | standard |
| 7.48649 | 0.218786 | standard |
| 7.50518 | 0.08904 | standard |
| 7.53196 | 0.292175 | standard |
| 7.54909 | 0.228015 | standard |
| 7.74526 | 0.269957 | standard |
| 7.76563 | 0.242547 | standard |
| 7.80867 | 0.0131244 | standard |
| 7.82781 | 0.237666 | standard |
| 7.84757 | 0.215037 | standard |
| 7.86626 | 0.010424 | standard |
| 8.05432 | 0.011283 | standard |
| 8.07342 | 0.229851 | standard |
| 8.09373 | 0.215668 | standard |
| 8.11265 | 0.010599 | standard |
| 5.07139 | 1.0 | standard |
| 7.39257 | 0.115896 | standard |
| 7.40697 | 0.196212 | standard |
| 7.4226 | 0.158216 | standard |
| 7.43337 | 0.0923153 | standard |
| 7.44853 | 0.221037 | standard |
| 7.46433 | 0.225464 | standard |
| 7.4693 | 0.222942 | standard |
| 7.48554 | 0.220812 | standard |
| 7.50066 | 0.093421 | standard |
| 7.5335 | 0.284235 | standard |
| 7.54722 | 0.233491 | standard |
| 7.7472 | 0.266876 | standard |
| 7.7635 | 0.244831 | standard |
| 7.80961 | 0.00715204 | standard |
| 7.82962 | 0.251277 | standard |
| 7.84551 | 0.234035 | standard |
| 8.05519 | 0.00641513 | standard |
| 8.0753 | 0.24535 | standard |
| 8.09169 | 0.234893 | standard |
| 8.11165 | 0.005995 | standard |
| 5.07139 | 1.0 | standard |
| 7.39524 | 0.118297 | standard |
| 7.40731 | 0.197404 | standard |
| 7.42021 | 0.15117 | standard |
| 7.43652 | 0.0928377 | standard |
| 7.44917 | 0.22458 | standard |
| 7.46236 | 0.196219 | standard |
| 7.47142 | 0.190767 | standard |
| 7.48498 | 0.218931 | standard |
| 7.49765 | 0.0960318 | standard |
| 7.53454 | 0.27899 | standard |
| 7.54598 | 0.237422 | standard |
| 7.74848 | 0.264813 | standard |
| 7.76211 | 0.24625 | standard |
| 7.83082 | 0.257124 | standard |
| 7.84424 | 0.240314 | standard |
| 8.07653 | 0.249547 | standard |
| 8.09038 | 0.245735 | standard |
| 5.07139 | 1.0 | standard |
| 7.39713 | 0.119949 | standard |
| 7.40752 | 0.196455 | standard |
| 7.41852 | 0.147612 | standard |
| 7.43864 | 0.0960764 | standard |
| 7.44956 | 0.224421 | standard |
| 7.46092 | 0.184712 | standard |
| 7.4729 | 0.181708 | standard |
| 7.48463 | 0.21667 | standard |
| 7.49548 | 0.100119 | standard |
| 7.53528 | 0.275804 | standard |
| 7.54509 | 0.240066 | standard |
| 7.74943 | 0.263565 | standard |
| 7.76107 | 0.247165 | standard |
| 7.8317 | 0.260356 | standard |
| 7.8433 | 0.245749 | standard |
| 8.07743 | 0.252552 | standard |
| 8.08943 | 0.248423 | standard |
| 5.07139 | 1.0 | standard |
| 7.39782 | 0.120583 | standard |
| 7.40764 | 0.199726 | standard |
| 7.41793 | 0.146183 | standard |
| 7.43948 | 0.0990894 | standard |
| 7.44974 | 0.226528 | standard |
| 7.46033 | 0.182104 | standard |
| 7.4735 | 0.1772 | standard |
| 7.48442 | 0.21832 | standard |
| 7.49469 | 0.10044 | standard |
| 7.53558 | 0.274492 | standard |
| 7.54474 | 0.240846 | standard |
| 7.74982 | 0.262996 | standard |
| 7.76067 | 0.247601 | standard |
| 7.83207 | 0.260622 | standard |
| 7.84292 | 0.247891 | standard |
| 8.07783 | 0.252846 | standard |
| 8.08903 | 0.252856 | standard |
| 5.07139 | 1.0 | standard |
| 7.39851 | 0.121311 | standard |
| 7.40754 | 0.194347 | standard |
| 7.41734 | 0.145087 | standard |
| 7.44027 | 0.100876 | standard |
| 7.44985 | 0.224654 | standard |
| 7.45983 | 0.175797 | standard |
| 7.47404 | 0.173969 | standard |
| 7.48432 | 0.216053 | standard |
| 7.49395 | 0.102077 | standard |
| 7.53588 | 0.273493 | standard |
| 7.54439 | 0.242151 | standard |
| 7.75012 | 0.262477 | standard |
| 7.76033 | 0.248241 | standard |
| 7.83237 | 0.256424 | standard |
| 7.84263 | 0.249949 | standard |
| 8.07815 | 0.252487 | standard |
| 8.08871 | 0.252484 | standard |
| 5.07139 | 1.0 | standard |
| 7.3996 | 0.123868 | standard |
| 7.40766 | 0.195429 | standard |
| 7.41624 | 0.141884 | standard |
| 7.44151 | 0.103724 | standard |
| 7.45003 | 0.227744 | standard |
| 7.45889 | 0.170232 | standard |
| 7.47498 | 0.168525 | standard |
| 7.48418 | 0.213416 | standard |
| 7.49276 | 0.104576 | standard |
| 7.53627 | 0.271502 | standard |
| 7.5439 | 0.243582 | standard |
| 7.75066 | 0.258054 | standard |
| 7.75973 | 0.252094 | standard |
| 7.83291 | 0.25703 | standard |
| 7.84206 | 0.25078 | standard |
| 8.0787 | 0.253492 | standard |
| 8.08814 | 0.253035 | standard |
| 5.07139 | 1.0 | standard |
| 7.4001 | 0.124397 | standard |
| 7.40766 | 0.19654 | standard |
| 7.41585 | 0.141138 | standard |
| 7.44201 | 0.104815 | standard |
| 7.45009 | 0.224588 | standard |
| 7.4585 | 0.167601 | standard |
| 7.47543 | 0.166765 | standard |
| 7.48409 | 0.215419 | standard |
| 7.49217 | 0.105782 | standard |
| 7.53647 | 0.27071 | standard |
| 7.5437 | 0.24424 | standard |
| 7.75091 | 0.258205 | standard |
| 7.75953 | 0.252193 | standard |
| 7.83311 | 0.25675 | standard |
| 7.84178 | 0.25125 | standard |
| 8.07897 | 0.254161 | standard |
| 8.08787 | 0.253456 | standard |
| 5.07139 | 1.0 | standard |
| 7.40049 | 0.124655 | standard |
| 7.40776 | 0.198319 | standard |
| 7.41545 | 0.140672 | standard |
| 7.44245 | 0.105968 | standard |
| 7.45018 | 0.225491 | standard |
| 7.45815 | 0.166133 | standard |
| 7.47577 | 0.163731 | standard |
| 7.48399 | 0.215466 | standard |
| 7.49177 | 0.106662 | standard |
| 7.53667 | 0.270073 | standard |
| 7.5435 | 0.24492 | standard |
| 7.75111 | 0.258111 | standard |
| 7.75924 | 0.252394 | standard |
| 7.83331 | 0.256446 | standard |
| 7.84159 | 0.251215 | standard |
| 8.07917 | 0.254087 | standard |
| 8.08767 | 0.253308 | standard |
| 5.07139 | 1.0 | standard |
| 7.40119 | 0.125173 | standard |
| 7.40782 | 0.196834 | standard |
| 7.41486 | 0.139694 | standard |
| 7.44324 | 0.108981 | standard |
| 7.45026 | 0.227891 | standard |
| 7.45756 | 0.16088 | standard |
| 7.47642 | 0.160747 | standard |
| 7.48389 | 0.21604 | standard |
| 7.49098 | 0.108419 | standard |
| 7.53697 | 0.268794 | standard |
| 7.54321 | 0.245901 | standard |
| 7.75151 | 0.257747 | standard |
| 7.75894 | 0.252539 | standard |
| 7.83368 | 0.254346 | standard |
| 7.84121 | 0.25433 | standard |
| 8.07954 | 0.254118 | standard |
| 8.0873 | 0.253972 | standard |
| 5.07139 | 1.0 | standard |
| 7.40228 | 0.127291 | standard |
| 7.40786 | 0.198303 | standard |
| 7.41377 | 0.137263 | standard |
| 7.44443 | 0.11185 | standard |
| 7.4504 | 0.224955 | standard |
| 7.45657 | 0.155481 | standard |
| 7.47741 | 0.155277 | standard |
| 7.48377 | 0.213979 | standard |
| 7.48974 | 0.11166 | standard |
| 7.53746 | 0.266985 | standard |
| 7.54271 | 0.2476 | standard |
| 7.752 | 0.254977 | standard |
| 7.75834 | 0.254985 | standard |
| 7.83425 | 0.254325 | standard |
| 7.84062 | 0.254111 | standard |
| 8.08011 | 0.254513 | standard |
| 8.0867 | 0.25373 | standard |