Dibenzofuran
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.01055 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H | |
| Note 1 | 21,20?18,19 | |
| Note 2 | 15,17?14,16 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| dibenzofuran | Solute | Saturated1 |
| CDCl3 | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 15 | 17 | 19 | 21 | 14 | 16 | 18 | 20 | |
|---|---|---|---|---|---|---|---|---|
| 15 | 7.339 | 7.496 | 1.191 | 7.816 | 0 | 0 | 0 | 0 |
| 17 | 0 | 7.452 | 8.426 | 1.191 | 0 | 0 | 0 | 0 |
| 19 | 0 | 0 | 7.569 | 0 | 0 | 0 | 0 | 0 |
| 21 | 0 | 0 | 0 | 7.951 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 0 | 0 | 7.339 | 7.496 | 1.191 | 7.816 |
| 16 | 0 | 0 | 0 | 0 | 0 | 7.452 | 8.426 | 1.191 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 7.569 | 0 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.951 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| -0.423682 | 1.125e-06 | standard |
| 7.3202 | 0.373452 | standard |
| 7.33892 | 0.844285 | standard |
| 7.3566 | 0.532899 | standard |
| 7.3582 | 0.531478 | standard |
| 7.43182 | 0.437694 | standard |
| 7.43333 | 0.443327 | standard |
| 7.45234 | 0.854582 | standard |
| 7.47126 | 0.460989 | standard |
| 7.55908 | 1.0 | standard |
| 7.56066 | 0.999279 | standard |
| 7.57989 | 0.709432 | standard |
| 7.58158 | 0.701606 | standard |
| 7.94123 | 0.897032 | standard |
| 7.94249 | 0.900144 | standard |
| 7.96048 | 0.848179 | standard |
| 7.96173 | 0.844925 | standard |
| -0.991623 | 3.3125e-05 | standard |
| 7.07064 | 0.0248701 | standard |
| 7.16199 | 0.0589171 | standard |
| 7.23618 | 0.128021 | standard |
| 7.30908 | 0.235259 | standard |
| 7.48639 | 1.0 | standard |
| 7.57831 | 0.329295 | standard |
| 7.78934 | 0.0982991 | standard |
| 7.86125 | 0.263934 | standard |
| 7.93287 | 0.183268 | standard |
| 7.9564 | 0.199076 | standard |
| 8.06156 | 0.144915 | standard |
| -0.975257 | 2.6125e-05 | standard |
| 7.16978 | 0.063124 | standard |
| 7.21585 | 0.107105 | standard |
| 7.27788 | 0.241589 | standard |
| 7.32161 | 0.441275 | standard |
| 7.36416 | 0.419904 | standard |
| 7.43907 | 1.0 | standard |
| 7.47193 | 0.969355 | standard |
| 7.51901 | 0.885943 | standard |
| 7.69336 | 0.079539 | standard |
| 7.78428 | 0.0503491 | standard |
| 7.88644 | 0.467753 | standard |
| 7.92042 | 0.338851 | standard |
| 7.97074 | 0.239235 | standard |
| 8.02705 | 0.315751 | standard |
| -0.974861 | 1.6125e-05 | standard |
| 7.21735 | 0.0889733 | standard |
| 7.24524 | 0.125473 | standard |
| 7.30148 | 0.291173 | standard |
| 7.33264 | 0.454874 | standard |
| 7.37738 | 0.528598 | standard |
| 7.4204 | 0.594713 | standard |
| 7.44632 | 0.645633 | standard |
| 7.4649 | 0.728956 | standard |
| 7.52842 | 1.0 | standard |
| 7.62011 | 0.188919 | standard |
| 7.65526 | 0.122152 | standard |
| 7.79539 | 0.0257531 | standard |
| 7.84985 | 0.0703561 | standard |
| 7.90097 | 0.503891 | standard |
| 7.92366 | 0.416158 | standard |
| 8.00812 | 0.378483 | standard |
| -0.947981 | 1.3125e-05 | standard |
| 7.23265 | 0.103863 | standard |
| 7.25522 | 0.137891 | standard |
| 7.30845 | 0.326401 | standard |
| 7.33298 | 0.440033 | standard |
| 7.35871 | 0.35016 | standard |
| 7.38095 | 0.568607 | standard |
| 7.41244 | 0.541441 | standard |
| 7.44836 | 0.616055 | standard |
| 7.46301 | 0.685891 | standard |
| 7.53071 | 1.0 | standard |
| 7.61552 | 0.215884 | standard |
| 7.64309 | 0.151382 | standard |
| 7.79996 | 0.0202121 | standard |
| 7.85312 | 0.0570913 | standard |
| 7.90614 | 0.532597 | standard |
| 7.92512 | 0.466226 | standard |
| 8.00163 | 0.414647 | standard |
| -0.944113 | 1.1125e-05 | standard |
| 7.24471 | 0.117868 | standard |
| 7.2634 | 0.149283 | standard |
| 7.31373 | 0.360838 | standard |
| 7.33407 | 0.4504 | standard |
| 7.38229 | 0.569542 | standard |
| 7.40594 | 0.544432 | standard |
| 7.44928 | 0.600739 | standard |
| 7.46172 | 0.657046 | standard |
| 7.53322 | 1.0 | standard |
| 7.55268 | 0.614761 | standard |
| 7.61137 | 0.242423 | standard |
| 7.63373 | 0.180486 | standard |
| 7.85515 | 0.045278 | standard |
| 7.91041 | 0.561846 | standard |
| 7.92626 | 0.511158 | standard |
| 7.98462 | 0.412211 | standard |
| 7.9964 | 0.445438 | standard |
| -0.901562 | 4.125e-06 | standard |
| 7.29587 | 0.266373 | standard |
| 7.30107 | 0.284056 | standard |
| 7.33276 | 0.691845 | standard |
| 7.33813 | 0.715589 | standard |
| 7.36982 | 0.543436 | standard |
| 7.37599 | 0.553864 | standard |
| 7.41078 | 0.405952 | standard |
| 7.41545 | 0.423873 | standard |
| 7.45214 | 0.772635 | standard |
| 7.48859 | 0.448061 | standard |
| 7.54963 | 1.00002 | standard |
| 7.5553 | 0.97179 | standard |
| 7.59079 | 0.523766 | standard |
| 7.59643 | 0.489543 | standard |
| 7.93082 | 0.823497 | standard |
| 7.93508 | 0.823361 | standard |
| 7.9688 | 0.745532 | standard |
| 7.973 | 0.739319 | standard |
| -0.839372 | 2.125e-06 | standard |
| 7.31385 | 0.338943 | standard |
| 7.33663 | 0.784418 | standard |
| 7.33882 | 0.793753 | standard |
| 7.36142 | 0.532008 | standard |
| 7.36434 | 0.532065 | standard |
| 7.42711 | 0.434309 | standard |
| 7.45233 | 0.823931 | standard |
| 7.47717 | 0.452399 | standard |
| 7.55582 | 1.0 | standard |
| 7.5585 | 0.993285 | standard |
| 7.58353 | 0.641216 | standard |
| 7.58616 | 0.625468 | standard |
| 7.93772 | 0.86903 | standard |
| 7.93979 | 0.872865 | standard |
| 7.96338 | 0.807398 | standard |
| 7.96542 | 0.803162 | standard |
| -0.422889 | 1.125e-06 | standard |
| 7.31873 | 0.363936 | standard |
| 7.32026 | 0.368346 | standard |
| 7.33892 | 0.845057 | standard |
| 7.3566 | 0.533197 | standard |
| 7.35819 | 0.531524 | standard |
| 7.43183 | 0.438047 | standard |
| 7.43333 | 0.443774 | standard |
| 7.45234 | 0.855014 | standard |
| 7.47126 | 0.461636 | standard |
| 7.55909 | 1.0 | standard |
| 7.56067 | 0.999858 | standard |
| 7.57989 | 0.709928 | standard |
| 7.58158 | 0.702155 | standard |
| 7.94111 | 0.890533 | standard |
| 7.94254 | 0.894182 | standard |
| 7.96048 | 0.849206 | standard |
| 7.96173 | 0.845892 | standard |
| -0.739987 | 1.125e-06 | standard |
| 7.32411 | 0.394136 | standard |
| 7.33901 | 0.87366 | standard |
| 7.35339 | 0.527351 | standard |
| 7.35443 | 0.523745 | standard |
| 7.43689 | 0.46294 | standard |
| 7.45234 | 0.871156 | standard |
| 7.46762 | 0.473354 | standard |
| 7.5611 | 0.997978 | standard |
| 7.56218 | 1.00001 | standard |
| 7.57774 | 0.754164 | standard |
| 7.57896 | 0.749775 | standard |
| 7.94404 | 0.924975 | standard |
| 7.95878 | 0.88422 | standard |
| 7.32588 | 0.403403 | standard |
| 7.32679 | 0.406949 | standard |
| 7.33883 | 0.895057 | standard |
| 7.35129 | 0.530563 | standard |
| 7.43948 | 0.467735 | standard |
| 7.45239 | 0.890342 | standard |
| 7.46514 | 0.476358 | standard |
| 7.56248 | 0.997912 | standard |
| 7.56324 | 1.0 | standard |
| 7.57648 | 0.804456 | standard |
| 7.94456 | 0.918783 | standard |
| 7.94532 | 0.921531 | standard |
| 7.95746 | 0.886152 | standard |
| 7.95822 | 0.883901 | standard |
| 7.32846 | 0.436878 | standard |
| 7.33889 | 0.911055 | standard |
| 7.34964 | 0.522074 | standard |
| 7.44132 | 0.474514 | standard |
| 7.45242 | 0.902323 | standard |
| 7.4632 | 0.471073 | standard |
| 7.46398 | 0.467207 | standard |
| 7.56343 | 0.998665 | standard |
| 7.56405 | 1.0 | standard |
| 7.57531 | 0.811136 | standard |
| 7.57612 | 0.808121 | standard |
| 7.94602 | 0.928548 | standard |
| 7.95649 | 0.903728 | standard |
| 7.95729 | 0.900839 | standard |
| 7.3292 | 0.442444 | standard |
| 7.3391 | 0.928913 | standard |
| 7.349 | 0.52252 | standard |
| 7.44206 | 0.47784 | standard |
| 7.45241 | 0.909621 | standard |
| 7.46265 | 0.48516 | standard |
| 7.56376 | 0.998676 | standard |
| 7.5644 | 1.0001 | standard |
| 7.57487 | 0.821648 | standard |
| 7.57568 | 0.818287 | standard |
| 7.94584 | 0.919456 | standard |
| 7.94648 | 0.921455 | standard |
| 7.95625 | 0.934026 | standard |
| 7.32923 | 0.424535 | standard |
| 7.33001 | 0.428532 | standard |
| 7.33914 | 0.920745 | standard |
| 7.34836 | 0.515088 | standard |
| 7.44269 | 0.473096 | standard |
| 7.45241 | 0.901465 | standard |
| 7.46184 | 0.467203 | standard |
| 7.46262 | 0.463193 | standard |
| 7.56463 | 1.00001 | standard |
| 7.57465 | 0.841608 | standard |
| 7.9467 | 0.925598 | standard |
| 7.95582 | 0.897997 | standard |
| 7.95659 | 0.894885 | standard |
| 7.3304 | 0.445583 | standard |
| 7.33102 | 0.449137 | standard |
| 7.3393 | 0.944559 | standard |
| 7.34746 | 0.532979 | standard |
| 7.44327 | 0.474706 | standard |
| 7.44389 | 0.478222 | standard |
| 7.45232 | 0.930102 | standard |
| 7.46083 | 0.48474 | standard |
| 7.46144 | 0.481097 | standard |
| 7.56464 | 0.997601 | standard |
| 7.56526 | 1.00009 | standard |
| 7.57392 | 0.858571 | standard |
| 7.57454 | 0.855687 | standard |
| 7.94672 | 0.930428 | standard |
| 7.94734 | 0.933622 | standard |
| 7.95553 | 0.965732 | standard |
| 7.33131 | 0.468477 | standard |
| 7.33925 | 0.932131 | standard |
| 7.34697 | 0.515259 | standard |
| 7.44428 | 0.479485 | standard |
| 7.45239 | 0.943115 | standard |
| 7.46043 | 0.485628 | standard |
| 7.56496 | 0.998082 | standard |
| 7.56545 | 1.00003 | standard |
| 7.57374 | 0.865366 | standard |
| 7.57422 | 0.862945 | standard |
| 7.94703 | 0.934401 | standard |
| 7.94752 | 0.9369 | standard |
| 7.95535 | 0.972323 | standard |
| 7.33179 | 0.454548 | standard |
| 7.33925 | 0.93654 | standard |
| 7.34659 | 0.515393 | standard |
| 7.44466 | 0.480765 | standard |
| 7.45238 | 0.91735 | standard |
| 7.46006 | 0.486527 | standard |
| 7.56551 | 1.00002 | standard |
| 7.57357 | 0.871004 | standard |
| 7.94759 | 0.939467 | standard |
| 7.95504 | 0.93936 | standard |
| 7.33252 | 0.46049 | standard |
| 7.33926 | 0.942591 | standard |
| 7.34596 | 0.515638 | standard |
| 7.44539 | 0.484255 | standard |
| 7.45238 | 0.925752 | standard |
| 7.45933 | 0.489563 | standard |
| 7.56556 | 0.99873 | standard |
| 7.56587 | 1.00012 | standard |
| 7.57321 | 0.882466 | standard |
| 7.57352 | 0.880531 | standard |
| 7.94764 | 0.943219 | standard |
| 7.94794 | 0.945337 | standard |
| 7.95468 | 0.94556 | standard |
| 7.95499 | 0.94344 | standard |
| 7.33352 | 0.467694 | standard |
| 7.33913 | 0.930253 | standard |
| 7.34506 | 0.514708 | standard |
| 7.44638 | 0.487584 | standard |
| 7.45237 | 0.933714 | standard |
| 7.45833 | 0.49254 | standard |
| 7.56637 | 1.00047 | standard |
| 7.57262 | 0.900018 | standard |
| 7.94844 | 0.953717 | standard |
| 7.95419 | 0.954266 | standard |