1-Naphthaldehyde
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.02224 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H | |
| Note 1 | hsqc,cosy for connectivities | |
| Note 2 | 19?16 | |
| Note 3 | 17?18 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1-naphthaldehyde | Solute | Saturated1 |
| CDCl3 | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 14 | 13 | 16 | 19 | 17 | 15 | 18 | 20 | |
|---|---|---|---|---|---|---|---|---|
| 14 | 7.694 | 6.842 | 0 | 7.804 | 0 | 0 | 0 | 0 |
| 13 | 0 | 7.597 | 7.804 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 7.991 | 0 | 0 | 0 | 0 | 0 |
| 19 | 0 | 0 | 0 | 9.256 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 8.099 | 7.962 | 0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 0 | 7.63 | 7.815 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 7.921 | 0 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10.403 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| -0.677698 | 2.125e-06 | standard |
| 7.58151 | 0.221705 | standard |
| 7.59579 | 0.420344 | standard |
| 7.61093 | 0.382295 | standard |
| 7.61345 | 0.336706 | standard |
| 7.62965 | 0.510282 | standard |
| 7.64547 | 0.285421 | standard |
| 7.67995 | 0.301008 | standard |
| 7.69484 | 0.427395 | standard |
| 7.70909 | 0.229718 | standard |
| 7.91388 | 0.535624 | standard |
| 7.92944 | 0.483486 | standard |
| 7.98313 | 0.529517 | standard |
| 7.99862 | 0.49038 | standard |
| 8.09122 | 0.525318 | standard |
| 8.10708 | 0.491862 | standard |
| 9.24796 | 0.507946 | standard |
| 9.26345 | 0.507868 | standard |
| 10.4026 | 1.0 | standard |
| -0.99807 | 0.000323125 | standard |
| 7.3924 | 0.136107 | standard |
| 7.57976 | 0.550321 | standard |
| 7.63263 | 0.605335 | standard |
| 7.75911 | 1.0 | standard |
| 7.86453 | 0.90509 | standard |
| 7.90825 | 0.689508 | standard |
| 8.02549 | 0.922289 | standard |
| 8.21654 | 0.274074 | standard |
| 8.99436 | 0.0263061 | standard |
| 9.07629 | 0.0702561 | standard |
| 9.16809 | 0.34362 | standard |
| 9.26162 | 0.199686 | standard |
| 9.3547 | 0.275257 | standard |
| 9.44605 | 0.0498481 | standard |
| 10.4026 | 0.919849 | standard |
| -0.996186 | 0.000156125 | standard |
| 7.47913 | 0.176339 | standard |
| 7.56564 | 0.413601 | standard |
| 7.60616 | 0.715663 | standard |
| 7.6384 | 0.744227 | standard |
| 7.68442 | 0.522309 | standard |
| 7.72997 | 0.852738 | standard |
| 7.87152 | 0.806549 | standard |
| 7.93748 | 0.544241 | standard |
| 7.99668 | 0.51772 | standard |
| 8.04581 | 0.81247 | standard |
| 8.17274 | 0.373089 | standard |
| 9.05605 | 0.0169861 | standard |
| 9.12722 | 0.060271 | standard |
| 9.19644 | 0.386102 | standard |
| 9.23488 | 0.189398 | standard |
| 9.28085 | 0.179784 | standard |
| 9.32013 | 0.333761 | standard |
| 9.38877 | 0.048348 | standard |
| 10.4026 | 1.0 | standard |
| -0.997078 | 8.8125e-05 | standard |
| 7.49137 | 0.125055 | standard |
| 7.52023 | 0.198252 | standard |
| 7.57392 | 0.401358 | standard |
| 7.61756 | 0.801265 | standard |
| 7.64113 | 0.764121 | standard |
| 7.6624 | 0.479104 | standard |
| 7.71263 | 0.853868 | standard |
| 7.79306 | 0.176334 | standard |
| 7.88147 | 0.716362 | standard |
| 7.95081 | 0.556408 | standard |
| 7.97498 | 0.581565 | standard |
| 8.05371 | 0.79267 | standard |
| 8.15299 | 0.410116 | standard |
| 9.08601 | 0.0111391 | standard |
| 9.15061 | 0.045287 | standard |
| 9.21076 | 0.404121 | standard |
| 9.3035 | 0.362521 | standard |
| 9.36313 | 0.0380011 | standard |
| 10.4026 | 1.0 | standard |
| -0.989838 | 6.9125e-05 | standard |
| 7.50321 | 0.130058 | standard |
| 7.53353 | 0.20859 | standard |
| 7.57744 | 0.402644 | standard |
| 7.62176 | 0.789118 | standard |
| 7.64197 | 0.773134 | standard |
| 7.7067 | 0.826021 | standard |
| 7.78206 | 0.171513 | standard |
| 7.88498 | 0.686768 | standard |
| 7.95826 | 0.620522 | standard |
| 7.96862 | 0.660599 | standard |
| 8.04061 | 0.460503 | standard |
| 8.05932 | 0.673999 | standard |
| 8.14664 | 0.421486 | standard |
| 9.09622 | 0.00893012 | standard |
| 9.15727 | 0.03808 | standard |
| 9.21571 | 0.41609 | standard |
| 9.29801 | 0.377392 | standard |
| 9.35589 | 0.0325753 | standard |
| 10.4026 | 1.0 | standard |
| -0.990135 | 5.6125e-05 | standard |
| 7.51299 | 0.135634 | standard |
| 7.54403 | 0.218767 | standard |
| 7.58014 | 0.407086 | standard |
| 7.62419 | 0.73577 | standard |
| 7.64246 | 0.77964 | standard |
| 7.70184 | 0.749681 | standard |
| 7.77328 | 0.171627 | standard |
| 7.88793 | 0.663795 | standard |
| 7.96238 | 0.782944 | standard |
| 8.03245 | 0.405948 | standard |
| 8.0631 | 0.630668 | standard |
| 8.14163 | 0.430894 | standard |
| 9.16198 | 0.0315394 | standard |
| 9.21963 | 0.429043 | standard |
| 9.29361 | 0.392617 | standard |
| 9.35093 | 0.0273923 | standard |
| 10.4026 | 1.0 | standard |
| -0.968116 | 1.4125e-05 | standard |
| 7.55681 | 0.178602 | standard |
| 7.59061 | 0.58544 | standard |
| 7.62812 | 0.885622 | standard |
| 7.6628 | 0.512157 | standard |
| 7.69806 | 0.447499 | standard |
| 7.73282 | 0.198774 | standard |
| 7.90327 | 0.580163 | standard |
| 7.94225 | 0.462855 | standard |
| 7.97273 | 0.560066 | standard |
| 8.0106 | 0.457186 | standard |
| 8.08007 | 0.554881 | standard |
| 8.11967 | 0.470332 | standard |
| 9.23703 | 0.508389 | standard |
| 9.27479 | 0.485307 | standard |
| 10.4026 | 1.0 | standard |
| -0.899479 | 6.125e-06 | standard |
| 7.57077 | 0.200677 | standard |
| 7.59458 | 0.454872 | standard |
| 7.60237 | 0.319056 | standard |
| 7.61927 | 0.407548 | standard |
| 7.62898 | 0.544364 | standard |
| 7.65531 | 0.31906 | standard |
| 7.6711 | 0.344325 | standard |
| 7.69608 | 0.432365 | standard |
| 7.71949 | 0.213236 | standard |
| 7.90902 | 0.554787 | standard |
| 7.93504 | 0.470207 | standard |
| 7.97835 | 0.544891 | standard |
| 8.00392 | 0.4795 | standard |
| 8.08616 | 0.537888 | standard |
| 8.11263 | 0.482048 | standard |
| 9.24298 | 0.506098 | standard |
| 9.2686 | 0.506868 | standard |
| 10.4026 | 1.0 | standard |
| -0.995293 | 4.125e-06 | standard |
| 7.5775 | 0.213397 | standard |
| 7.59536 | 0.427336 | standard |
| 7.61035 | 0.340299 | standard |
| 7.61369 | 0.39826 | standard |
| 7.62949 | 0.515435 | standard |
| 7.64914 | 0.294478 | standard |
| 7.67653 | 0.313799 | standard |
| 7.69527 | 0.427976 | standard |
| 7.71295 | 0.223336 | standard |
| 7.91199 | 0.542697 | standard |
| 7.93152 | 0.478051 | standard |
| 7.9813 | 0.535286 | standard |
| 8.00065 | 0.486169 | standard |
| 8.08929 | 0.529694 | standard |
| 8.10916 | 0.488069 | standard |
| 9.24605 | 0.507348 | standard |
| 9.2654 | 0.507594 | standard |
| 10.4026 | 1.0 | standard |
| -0.678194 | 2.125e-06 | standard |
| 7.58151 | 0.221709 | standard |
| 7.59579 | 0.420294 | standard |
| 7.61093 | 0.382237 | standard |
| 7.61345 | 0.336644 | standard |
| 7.62965 | 0.510272 | standard |
| 7.64547 | 0.285406 | standard |
| 7.67995 | 0.300987 | standard |
| 7.69484 | 0.427349 | standard |
| 7.70909 | 0.229719 | standard |
| 7.91388 | 0.53561 | standard |
| 7.92944 | 0.483488 | standard |
| 7.98313 | 0.529504 | standard |
| 7.99862 | 0.490379 | standard |
| 8.09122 | 0.525307 | standard |
| 8.10708 | 0.491862 | standard |
| 9.24796 | 0.507941 | standard |
| 9.26345 | 0.507862 | standard |
| 10.4026 | 1.0 | standard |
| -0.967322 | 2.125e-06 | standard |
| 7.58414 | 0.22729 | standard |
| 7.59606 | 0.418032 | standard |
| 7.60848 | 0.313655 | standard |
| 7.6166 | 0.257336 | standard |
| 7.6298 | 0.509206 | standard |
| 7.64289 | 0.280328 | standard |
| 7.68223 | 0.293102 | standard |
| 7.69466 | 0.418681 | standard |
| 7.70656 | 0.234365 | standard |
| 7.91506 | 0.530877 | standard |
| 7.92805 | 0.487268 | standard |
| 7.98435 | 0.525353 | standard |
| 7.99728 | 0.493285 | standard |
| 8.09251 | 0.522263 | standard |
| 8.10574 | 0.493963 | standard |
| 9.24922 | 0.508149 | standard |
| 9.26216 | 0.507703 | standard |
| 10.4026 | 1.0 | standard |
| -0.33372 | 1.125e-06 | standard |
| 7.58597 | 0.231706 | standard |
| 7.59625 | 0.419651 | standard |
| 7.60684 | 0.30001 | standard |
| 7.6186 | 0.250833 | standard |
| 7.6298 | 0.50759 | standard |
| 7.6411 | 0.276752 | standard |
| 7.68387 | 0.288056 | standard |
| 7.69451 | 0.420346 | standard |
| 7.70473 | 0.237506 | standard |
| 7.91596 | 0.527441 | standard |
| 7.92716 | 0.489971 | standard |
| 7.98524 | 0.522467 | standard |
| 7.99634 | 0.494631 | standard |
| 8.0934 | 0.520055 | standard |
| 8.1048 | 0.496169 | standard |
| 9.25011 | 0.508134 | standard |
| 9.26122 | 0.508134 | standard |
| 10.4026 | 1.0 | standard |
| -0.445106 | 1.125e-06 | standard |
| 7.58671 | 0.233195 | standard |
| 7.59627 | 0.415205 | standard |
| 7.60619 | 0.296458 | standard |
| 7.61939 | 0.249976 | standard |
| 7.6299 | 0.506902 | standard |
| 7.64041 | 0.275471 | standard |
| 7.68456 | 0.286113 | standard |
| 7.69443 | 0.421364 | standard |
| 7.70399 | 0.239167 | standard |
| 7.91635 | 0.52618 | standard |
| 7.92676 | 0.491184 | standard |
| 7.98559 | 0.521959 | standard |
| 7.99599 | 0.495947 | standard |
| 8.0938 | 0.519254 | standard |
| 8.10441 | 0.496965 | standard |
| 9.25051 | 0.508141 | standard |
| 9.26087 | 0.507441 | standard |
| 10.4026 | 1.0 | standard |
| -0.549748 | 1.125e-06 | standard |
| 7.58736 | 0.235027 | standard |
| 7.59635 | 0.417367 | standard |
| 7.6056 | 0.293521 | standard |
| 7.61999 | 0.249642 | standard |
| 7.6299 | 0.506265 | standard |
| 7.63972 | 0.274378 | standard |
| 7.6851 | 0.283749 | standard |
| 7.69444 | 0.417912 | standard |
| 7.70339 | 0.240413 | standard |
| 7.91665 | 0.525089 | standard |
| 7.92637 | 0.492263 | standard |
| 7.98588 | 0.521027 | standard |
| 7.99565 | 0.495866 | standard |
| 8.0941 | 0.518563 | standard |
| 8.10401 | 0.497669 | standard |
| 9.25081 | 0.508136 | standard |
| 9.26052 | 0.508136 | standard |
| 10.4026 | 1.0 | standard |
| -0.740285 | 1.125e-06 | standard |
| 7.58845 | 0.237712 | standard |
| 7.5964 | 0.412665 | standard |
| 7.6047 | 0.288811 | standard |
| 7.62118 | 0.254469 | standard |
| 7.6299 | 0.505301 | standard |
| 7.63872 | 0.267516 | standard |
| 7.68605 | 0.281258 | standard |
| 7.69438 | 0.413249 | standard |
| 7.7023 | 0.24256 | standard |
| 7.91715 | 0.522936 | standard |
| 7.92587 | 0.493722 | standard |
| 7.98643 | 0.518482 | standard |
| 7.9951 | 0.497846 | standard |
| 8.09469 | 0.507974 | standard |
| 8.10351 | 0.507952 | standard |
| 9.25135 | 0.507055 | standard |
| 9.26003 | 0.508066 | standard |
| 10.4026 | 1.0 | standard |
| -0.826676 | 1.125e-06 | standard |
| 7.58884 | 0.238621 | standard |
| 7.59649 | 0.418656 | standard |
| 7.60426 | 0.286524 | standard |
| 7.62167 | 0.254489 | standard |
| 7.6299 | 0.504763 | standard |
| 7.63823 | 0.267062 | standard |
| 7.68649 | 0.279606 | standard |
| 7.69429 | 0.419056 | standard |
| 7.7019 | 0.243239 | standard |
| 7.91735 | 0.522203 | standard |
| 7.92557 | 0.49452 | standard |
| 7.98668 | 0.518956 | standard |
| 7.99485 | 0.497326 | standard |
| 8.09489 | 0.508014 | standard |
| 8.10322 | 0.507995 | standard |
| 9.2516 | 0.508143 | standard |
| 9.25978 | 0.507014 | standard |
| 10.4026 | 1.0 | standard |
| -0.907612 | 1.125e-06 | standard |
| 7.58924 | 0.24441 | standard |
| 7.59644 | 0.412043 | standard |
| 7.60391 | 0.280327 | standard |
| 7.62207 | 0.254353 | standard |
| 7.62995 | 0.507739 | standard |
| 7.63783 | 0.266652 | standard |
| 7.68684 | 0.278964 | standard |
| 7.69431 | 0.411344 | standard |
| 7.70151 | 0.243995 | standard |
| 7.91754 | 0.521455 | standard |
| 7.92538 | 0.495144 | standard |
| 7.98687 | 0.508558 | standard |
| 7.99461 | 0.508521 | standard |
| 8.09509 | 0.507959 | standard |
| 8.10302 | 0.507943 | standard |
| 9.2518 | 0.50822 | standard |
| 9.25953 | 0.508219 | standard |
| 10.4026 | 1.0 | standard |
| 7.58993 | 0.245706 | standard |
| 7.59651 | 0.413422 | standard |
| 7.60322 | 0.278409 | standard |
| 7.62276 | 0.254418 | standard |
| 7.62995 | 0.507223 | standard |
| 7.63714 | 0.265813 | standard |
| 7.68753 | 0.277313 | standard |
| 7.69424 | 0.421066 | standard |
| 7.70081 | 0.245403 | standard |
| 7.91794 | 0.520177 | standard |
| 7.92508 | 0.496244 | standard |
| 7.98717 | 0.508254 | standard |
| 7.99431 | 0.508227 | standard |
| 8.09548 | 0.50809 | standard |
| 8.10262 | 0.508079 | standard |
| 9.2521 | 0.507977 | standard |
| 9.25923 | 0.507976 | standard |
| 10.4026 | 1.0 | standard |
| 7.59102 | 0.248006 | standard |
| 7.59657 | 0.425209 | standard |
| 7.60222 | 0.275233 | standard |
| 7.62395 | 0.255008 | standard |
| 7.62995 | 0.50643 | standard |
| 7.63605 | 0.264611 | standard |
| 7.68852 | 0.274594 | standard |
| 7.69418 | 0.424809 | standard |
| 7.69972 | 0.247738 | standard |
| 7.91844 | 0.518256 | standard |
| 7.92448 | 0.49799 | standard |
| 7.98777 | 0.508416 | standard |
| 7.99371 | 0.5084 | standard |
| 8.09598 | 0.507787 | standard |
| 8.10213 | 0.507779 | standard |
| 9.25269 | 0.50822 | standard |
| 9.25864 | 0.508219 | standard |
| 10.4026 | 1.0 | standard |