AZULENE
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01037 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H | |
| Note 1 | Oscar Li |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| AZULENE | solute | 100mM |
| Chloroform-d | solvent | 100.0% |
| TMS | reference | 0.05% |
Spin System Matrix
| 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | |
|---|---|---|---|---|---|---|---|---|
| 11 | 7.595 | 9.809 | 9.809 | 0 | 0 | 0 | 0 | 0 |
| 12 | 0 | 7.176 | 0 | 0 | 9.703 | 1.0 | 0 | 0 |
| 13 | 0 | 0 | 7.176 | 0 | 0 | 9.703 | 0 | 0 |
| 14 | 0 | 0 | 0 | 7.923 | 0 | 0 | 3.706 | 3.706 |
| 15 | 0 | 0 | 0 | 0 | 8.363 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 0 | 0 | 8.363 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 0 | 0 | 7.412 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.412 |
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 |
|---|---|---|
| 7.15605 | 0.382265 | standard |
| 7.17551 | 0.785751 | standard |
| 7.19501 | 0.417444 | standard |
| 7.40803 | 0.992277 | standard |
| 7.4154 | 1.001 | standard |
| 7.57604 | 0.268203 | standard |
| 7.59562 | 0.466577 | standard |
| 7.61522 | 0.222905 | standard |
| 7.91567 | 0.258815 | standard |
| 7.92305 | 0.496489 | standard |
| 7.93052 | 0.258436 | standard |
| 8.35375 | 0.787017 | standard |
| 8.37321 | 0.783682 | standard |
| -0.995789 | 3.0125e-05 | standard |
| 6.85497 | 0.047101 | standard |
| 6.89478 | 0.0607341 | standard |
| 6.93183 | 0.080241 | standard |
| 7.13884 | 0.320114 | standard |
| 7.21097 | 0.104407 | standard |
| 7.36256 | 0.914892 | standard |
| 7.45294 | 1.0 | standard |
| 7.59373 | 0.108443 | standard |
| 7.65995 | 0.129741 | standard |
| 7.76564 | 0.0352011 | standard |
| 7.83975 | 0.256032 | standard |
| 7.92865 | 0.276759 | standard |
| 8.023 | 0.134291 | standard |
| 8.25304 | 0.356403 | standard |
| 8.27094 | 0.356474 | standard |
| 8.49974 | 0.289165 | standard |
| -0.99559 | 1.7125e-05 | standard |
| 6.97649 | 0.0870522 | standard |
| 7.00845 | 0.146623 | standard |
| 7.15693 | 0.478745 | standard |
| 7.30823 | 0.497771 | standard |
| 7.37919 | 0.760058 | standard |
| 7.44087 | 1.0 | standard |
| 7.59477 | 0.1303 | standard |
| 7.62581 | 0.199142 | standard |
| 7.6668 | 0.053603 | standard |
| 7.78283 | 0.0972912 | standard |
| 7.86526 | 0.280455 | standard |
| 7.92654 | 0.381552 | standard |
| 7.9881 | 0.181486 | standard |
| 8.28685 | 0.554695 | standard |
| 8.4538 | 0.453788 | standard |
| -0.946989 | 1.0125e-05 | standard |
| 7.04934 | 0.207967 | standard |
| 7.16479 | 0.561516 | standard |
| 7.28086 | 0.49217 | standard |
| 7.38765 | 0.838058 | standard |
| 7.43378 | 1.00001 | standard |
| 7.49306 | 0.374005 | standard |
| 7.5956 | 0.149531 | standard |
| 7.61271 | 0.252384 | standard |
| 7.73251 | 0.125213 | standard |
| 7.87893 | 0.283403 | standard |
| 7.92508 | 0.430292 | standard |
| 7.97129 | 0.204658 | standard |
| 8.30371 | 0.662237 | standard |
| 8.43024 | 0.556468 | standard |
| -0.934492 | 8.125e-06 | standard |
| 7.06364 | 0.228502 | standard |
| 7.16689 | 0.587915 | standard |
| 7.27093 | 0.484109 | standard |
| 7.39042 | 0.858143 | standard |
| 7.43145 | 1.00001 | standard |
| 7.5022 | 0.363167 | standard |
| 7.60907 | 0.270792 | standard |
| 7.71611 | 0.136431 | standard |
| 7.88369 | 0.281338 | standard |
| 7.92465 | 0.441436 | standard |
| 7.96565 | 0.210359 | standard |
| 8.30986 | 0.689691 | standard |
| 8.42233 | 0.588599 | standard |
| -0.987854 | 7.125e-06 | standard |
| 7.07504 | 0.244651 | standard |
| 7.16835 | 0.607995 | standard |
| 7.26263 | 0.475337 | standard |
| 7.39264 | 0.870798 | standard |
| 7.42952 | 1.00002 | standard |
| 7.50992 | 0.35231 | standard |
| 7.60646 | 0.287136 | standard |
| 7.70312 | 0.14496 | standard |
| 7.88745 | 0.279041 | standard |
| 7.92432 | 0.449718 | standard |
| 7.9613 | 0.214432 | standard |
| 8.31503 | 0.709018 | standard |
| 8.41602 | 0.611362 | standard |
| -0.892337 | 2.125e-06 | standard |
| 7.12589 | 0.31906 | standard |
| 7.17381 | 0.725571 | standard |
| 7.22212 | 0.438817 | standard |
| 7.40234 | 0.936518 | standard |
| 7.42085 | 1.0001 | standard |
| 7.54917 | 0.298459 | standard |
| 7.59804 | 0.388478 | standard |
| 7.64688 | 0.188583 | standard |
| 7.90488 | 0.268021 | standard |
| 7.92334 | 0.479007 | standard |
| 7.9418 | 0.236197 | standard |
| 8.33925 | 0.767748 | standard |
| 8.38856 | 0.712795 | standard |
| -0.644868 | 1.125e-06 | standard |
| 7.14269 | 0.34919 | standard |
| 7.17496 | 0.759863 | standard |
| 7.20727 | 0.428428 | standard |
| 7.4055 | 0.96047 | standard |
| 7.41783 | 1.00002 | standard |
| 7.56382 | 0.280229 | standard |
| 7.59646 | 0.432556 | standard |
| 7.62908 | 0.206018 | standard |
| 7.91082 | 0.265011 | standard |
| 7.92314 | 0.487958 | standard |
| 7.93547 | 0.244575 | standard |
| 8.34731 | 0.780276 | standard |
| 8.37993 | 0.754317 | standard |
| 7.15107 | 0.367559 | standard |
| 7.17536 | 0.773441 | standard |
| 7.19965 | 0.425447 | standard |
| 7.40709 | 0.984558 | standard |
| 7.41629 | 1.00059 | standard |
| 7.57138 | 0.273159 | standard |
| 7.59588 | 0.455945 | standard |
| 7.62038 | 0.216814 | standard |
| 7.91389 | 0.257717 | standard |
| 7.9231 | 0.494698 | standard |
| 7.9324 | 0.257413 | standard |
| 8.35132 | 0.790813 | standard |
| 8.37576 | 0.775269 | standard |
| 7.15605 | 0.382242 | standard |
| 7.17551 | 0.785692 | standard |
| 7.19498 | 0.417592 | standard |
| 7.40803 | 0.992281 | standard |
| 7.4154 | 1.001 | standard |
| 7.57604 | 0.268202 | standard |
| 7.5956 | 0.466738 | standard |
| 7.61522 | 0.222912 | standard |
| 7.91567 | 0.25881 | standard |
| 7.92305 | 0.496491 | standard |
| 7.93052 | 0.258432 | standard |
| 8.35375 | 0.786957 | standard |
| 8.37321 | 0.783623 | standard |
| 7.15937 | 0.384566 | standard |
| 7.17563 | 0.788739 | standard |
| 7.19188 | 0.412886 | standard |
| 7.40862 | 1.00003 | standard |
| 7.41481 | 0.997981 | standard |
| 7.57912 | 0.26469 | standard |
| 7.59548 | 0.474573 | standard |
| 7.61185 | 0.226878 | standard |
| 7.91686 | 0.259203 | standard |
| 7.92305 | 0.49899 | standard |
| 7.92923 | 0.259203 | standard |
| 8.35534 | 0.793626 | standard |
| 8.37157 | 0.792397 | standard |
| 7.16174 | 0.39226 | standard |
| 7.17566 | 0.794723 | standard |
| 7.18961 | 0.414698 | standard |
| 7.40912 | 1.00003 | standard |
| 7.41436 | 1.00003 | standard |
| 7.5814 | 0.261675 | standard |
| 7.59538 | 0.475158 | standard |
| 7.60937 | 0.229285 | standard |
| 7.91775 | 0.25909 | standard |
| 7.92305 | 0.498347 | standard |
| 7.92834 | 0.25909 | standard |
| 8.35654 | 0.802073 | standard |
| 8.37041 | 0.785499 | standard |
| 7.16275 | 0.395015 | standard |
| 7.17569 | 0.789333 | standard |
| 7.18872 | 0.405964 | standard |
| 7.40927 | 0.996806 | standard |
| 7.41417 | 1.00003 | standard |
| 7.58229 | 0.260545 | standard |
| 7.59538 | 0.47865 | standard |
| 7.60848 | 0.230311 | standard |
| 7.91815 | 0.259385 | standard |
| 7.92305 | 0.498398 | standard |
| 7.92795 | 0.259385 | standard |
| 8.35693 | 0.803519 | standard |
| 8.36994 | 0.79311 | standard |
| 7.16354 | 0.388821 | standard |
| 7.17571 | 0.783065 | standard |
| 7.18794 | 0.406987 | standard |
| 7.40941 | 1.00003 | standard |
| 7.41407 | 1.00003 | standard |
| 7.58309 | 0.25973 | standard |
| 7.59538 | 0.480078 | standard |
| 7.60758 | 0.231399 | standard |
| 7.91844 | 0.259506 | standard |
| 7.92305 | 0.498478 | standard |
| 7.92765 | 0.259506 | standard |
| 8.35732 | 0.787817 | standard |
| 8.36955 | 0.788022 | standard |
| 7.16493 | 0.397481 | standard |
| 7.17574 | 0.791361 | standard |
| 7.18653 | 0.408647 | standard |
| 7.40971 | 1.00003 | standard |
| 7.41377 | 1.00003 | standard |
| 7.58438 | 0.251396 | standard |
| 7.59528 | 0.480413 | standard |
| 7.6062 | 0.2388 | standard |
| 7.91894 | 0.259146 | standard |
| 7.92305 | 0.497328 | standard |
| 7.92715 | 0.259146 | standard |
| 8.35802 | 0.79704 | standard |
| 8.36885 | 0.797199 | standard |
| 7.16552 | 0.392432 | standard |
| 7.17579 | 0.786056 | standard |
| 7.18605 | 0.401332 | standard |
| 7.40981 | 1.00003 | standard |
| 7.41367 | 1.00003 | standard |
| 7.58497 | 0.251126 | standard |
| 7.59528 | 0.481944 | standard |
| 7.6056 | 0.239191 | standard |
| 7.91914 | 0.259058 | standard |
| 7.92305 | 0.497038 | standard |
| 7.92696 | 0.259058 | standard |
| 8.35833 | 0.80608 | standard |
| 8.36854 | 0.806222 | standard |
| 7.16601 | 0.397193 | standard |
| 7.17578 | 0.795033 | standard |
| 7.18555 | 0.404998 | standard |
| 7.40991 | 1.00003 | standard |
| 7.41357 | 1.00003 | standard |
| 7.58547 | 0.250776 | standard |
| 7.59529 | 0.481642 | standard |
| 7.6051 | 0.239438 | standard |
| 7.91933 | 0.259049 | standard |
| 7.92305 | 0.496726 | standard |
| 7.92676 | 0.259049 | standard |
| 8.35857 | 0.77026 | standard |
| 8.36824 | 0.795097 | standard |
| 7.1669 | 0.387889 | standard |
| 7.17578 | 0.784287 | standard |
| 7.18466 | 0.405706 | standard |
| 7.41006 | 0.992953 | standard |
| 7.41337 | 1.00003 | standard |
| 7.58636 | 0.250173 | standard |
| 7.59529 | 0.483148 | standard |
| 7.60421 | 0.239868 | standard |
| 7.91973 | 0.259535 | standard |
| 7.92305 | 0.496468 | standard |
| 7.92636 | 0.259535 | standard |
| 8.35902 | 0.7733 | standard |
| 8.36786 | 0.798257 | standard |
| 7.16829 | 0.397408 | standard |
| 7.17578 | 0.785388 | standard |
| 7.18326 | 0.39741 | standard |
| 7.41031 | 1.00003 | standard |
| 7.41318 | 1.00003 | standard |
| 7.58765 | 0.245179 | standard |
| 7.59529 | 0.485367 | standard |
| 7.60282 | 0.245232 | standard |
| 7.92023 | 0.259659 | standard |
| 7.92305 | 0.495497 | standard |
| 7.92587 | 0.259659 | standard |
| 8.35971 | 0.787876 | standard |
| 8.36715 | 0.787933 | standard |