Nitrosobenzene
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01225 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H | |
| Note 1 | 11,13?10,12 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| nitrosobenzene | Solute | 100mM |
| CDCl3 | Solvent | 100% |
| TMS | Reference | 0.05mM |
Spin System Matrix
| 9 | 10 | 12 | 13 | 11 | |
|---|---|---|---|---|---|
| 9 | 7.718 | 7.5 | 1.453 | 1.453 | 7.5 |
| 10 | 0 | 7.63 | 7.5 | 0 | 0 |
| 12 | 0 | 0 | 7.91 | 0 | 0 |
| 13 | 0 | 0 | 0 | 7.91 | 7.5 |
| 11 | 0 | 0 | 0 | 0 | 7.63 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.61477 | 0.412414 | standard |
| 7.62968 | 1.00014 | standard |
| 7.64457 | 0.657513 | standard |
| 7.70397 | 0.245508 | standard |
| 7.71889 | 0.355841 | standard |
| 7.73371 | 0.131561 | standard |
| 7.90174 | 0.726415 | standard |
| 7.90372 | 0.734831 | standard |
| 7.91662 | 0.662938 | standard |
| 7.91856 | 0.661551 | standard |
| -0.984779 | 4.2125e-05 | standard |
| 7.56875 | 0.278444 | standard |
| 7.71478 | 1.0 | standard |
| 7.82308 | 0.639302 | standard |
| 7.91981 | 0.339184 | standard |
| 7.99972 | 0.184823 | standard |
| 8.04931 | 0.139247 | standard |
| -0.966628 | 2.2125e-05 | standard |
| 7.46634 | 0.04558 | standard |
| 7.5209 | 0.092308 | standard |
| 7.60104 | 0.419204 | standard |
| 7.6961 | 1.0 | standard |
| 7.77275 | 0.324224 | standard |
| 7.85116 | 0.546217 | standard |
| 7.90615 | 0.436756 | standard |
| 7.96872 | 0.26739 | standard |
| 7.99682 | 0.228341 | standard |
| -0.986862 | 1.3125e-05 | standard |
| 7.51018 | 0.061854 | standard |
| 7.54487 | 0.0981731 | standard |
| 7.60997 | 0.468469 | standard |
| 7.68218 | 1.0 | standard |
| 7.7337 | 0.222997 | standard |
| 7.75203 | 0.226658 | standard |
| 7.81174 | 0.145271 | standard |
| 7.86449 | 0.503708 | standard |
| 7.89653 | 0.467867 | standard |
| 7.95356 | 0.305846 | standard |
| 7.97078 | 0.283454 | standard |
| -0.972083 | 1.0125e-05 | standard |
| 7.52528 | 0.0687791 | standard |
| 7.55307 | 0.0993334 | standard |
| 7.61342 | 0.471963 | standard |
| 7.64884 | 0.339296 | standard |
| 7.68028 | 1.0 | standard |
| 7.74587 | 0.210748 | standard |
| 7.81642 | 0.112538 | standard |
| 7.86923 | 0.484926 | standard |
| 7.89367 | 0.474129 | standard |
| 7.91855 | 0.262347 | standard |
| 7.949 | 0.314237 | standard |
| 7.96216 | 0.298541 | standard |
| -0.954924 | 8.125e-06 | standard |
| 7.53731 | 0.0772077 | standard |
| 7.55978 | 0.102706 | standard |
| 7.61613 | 0.482269 | standard |
| 7.67931 | 1.0 | standard |
| 7.7414 | 0.200904 | standard |
| 7.79373 | 0.0678601 | standard |
| 7.81748 | 0.087896 | standard |
| 7.87337 | 0.47938 | standard |
| 7.88159 | 0.47669 | standard |
| 7.89216 | 0.491767 | standard |
| 7.9205 | 0.248661 | standard |
| 7.9452 | 0.324696 | standard |
| -0.789184 | 3.125e-06 | standard |
| 7.58974 | 0.282356 | standard |
| 7.62571 | 0.970274 | standard |
| 7.66135 | 1.0 | standard |
| 7.68156 | 0.308259 | standard |
| 7.6895 | 0.4718 | standard |
| 7.70978 | 0.176855 | standard |
| 7.72488 | 0.415338 | standard |
| 7.74174 | 0.101239 | standard |
| 7.75348 | 0.0879541 | standard |
| 7.76108 | 0.103962 | standard |
| 7.89483 | 0.897024 | standard |
| 7.93076 | 0.694213 | standard |
| -0.250304 | 1.125e-06 | standard |
| 7.60372 | 0.356174 | standard |
| 7.62825 | 1.00006 | standard |
| 7.65271 | 0.805882 | standard |
| 7.69667 | 0.333757 | standard |
| 7.72113 | 0.393514 | standard |
| 7.74552 | 0.116693 | standard |
| 7.8995 | 0.811164 | standard |
| 7.92395 | 0.687266 | standard |
| -0.748815 | 1.125e-06 | standard |
| 7.61067 | 0.390226 | standard |
| 7.6292 | 1.00001 | standard |
| 7.64774 | 0.709404 | standard |
| 7.70112 | 0.273427 | standard |
| 7.7196 | 0.367296 | standard |
| 7.73806 | 0.124323 | standard |
| 7.90011 | 0.750747 | standard |
| 7.90215 | 0.760316 | standard |
| 7.91833 | 0.661855 | standard |
| 7.92067 | 0.665382 | standard |
| 7.61477 | 0.412428 | standard |
| 7.62968 | 1.00014 | standard |
| 7.64457 | 0.657468 | standard |
| 7.70397 | 0.245463 | standard |
| 7.71889 | 0.355824 | standard |
| 7.73371 | 0.13156 | standard |
| 7.90183 | 0.725546 | standard |
| 7.90371 | 0.738817 | standard |
| 7.91662 | 0.662888 | standard |
| 7.91856 | 0.661496 | standard |
| 7.61748 | 0.427343 | standard |
| 7.62995 | 1.00077 | standard |
| 7.64234 | 0.62602 | standard |
| 7.70605 | 0.227587 | standard |
| 7.71849 | 0.345714 | standard |
| 7.73084 | 0.135112 | standard |
| 7.90308 | 0.71133 | standard |
| 7.9047 | 0.722126 | standard |
| 7.91539 | 0.654994 | standard |
| 7.91716 | 0.653686 | standard |
| 7.61943 | 0.435045 | standard |
| 7.63007 | 1.00046 | standard |
| 7.64076 | 0.606196 | standard |
| 7.70758 | 0.21999 | standard |
| 7.71828 | 0.341307 | standard |
| 7.72887 | 0.139226 | standard |
| 7.90397 | 0.700842 | standard |
| 7.90547 | 0.709907 | standard |
| 7.91463 | 0.656391 | standard |
| 7.91614 | 0.65382 | standard |
| 7.62017 | 0.444804 | standard |
| 7.63015 | 1.00113 | standard |
| 7.64009 | 0.598385 | standard |
| 7.70817 | 0.215122 | standard |
| 7.71819 | 0.340805 | standard |
| 7.72808 | 0.140233 | standard |
| 7.90435 | 0.698698 | standard |
| 7.90578 | 0.706088 | standard |
| 7.91431 | 0.662632 | standard |
| 7.91568 | 0.660809 | standard |
| 7.62083 | 0.447711 | standard |
| 7.63019 | 1.00002 | standard |
| 7.63952 | 0.591717 | standard |
| 7.70878 | 0.211711 | standard |
| 7.71808 | 0.337713 | standard |
| 7.72737 | 0.141687 | standard |
| 7.9047 | 0.697817 | standard |
| 7.90601 | 0.704969 | standard |
| 7.914 | 0.658297 | standard |
| 7.91531 | 0.654925 | standard |
| 7.62194 | 0.451055 | standard |
| 7.63025 | 1.00179 | standard |
| 7.63857 | 0.583053 | standard |
| 7.70965 | 0.206217 | standard |
| 7.71798 | 0.336254 | standard |
| 7.7263 | 0.144194 | standard |
| 7.90529 | 0.700577 | standard |
| 7.90641 | 0.705562 | standard |
| 7.91359 | 0.663071 | standard |
| 7.91472 | 0.659822 | standard |
| 7.62238 | 0.46351 | standard |
| 7.63029 | 1.00014 | standard |
| 7.63815 | 0.579549 | standard |
| 7.71004 | 0.204703 | standard |
| 7.71799 | 0.337188 | standard |
| 7.7258 | 0.14465 | standard |
| 7.90546 | 0.679587 | standard |
| 7.90664 | 0.691199 | standard |
| 7.91338 | 0.671153 | standard |
| 7.91446 | 0.666253 | standard |
| 7.62281 | 0.464341 | standard |
| 7.6303 | 1.0 | standard |
| 7.63778 | 0.562095 | standard |
| 7.71045 | 0.199935 | standard |
| 7.71787 | 0.33337 | standard |
| 7.72541 | 0.146203 | standard |
| 7.90573 | 0.682996 | standard |
| 7.90676 | 0.687451 | standard |
| 7.91317 | 0.662219 | standard |
| 7.91424 | 0.661058 | standard |
| 7.62353 | 0.470023 | standard |
| 7.63034 | 1.00232 | standard |
| 7.63714 | 0.564103 | standard |
| 7.71104 | 0.200889 | standard |
| 7.71789 | 0.336397 | standard |
| 7.7246 | 0.148375 | standard |
| 7.90611 | 0.682739 | standard |
| 7.90706 | 0.691387 | standard |
| 7.91287 | 0.66701 | standard |
| 7.91386 | 0.661823 | standard |
| 7.62465 | 0.474457 | standard |
| 7.6304 | 1.0 | standard |
| 7.63615 | 0.549645 | standard |
| 7.71204 | 0.192114 | standard |
| 7.71779 | 0.331626 | standard |
| 7.72352 | 0.151694 | standard |
| 7.9067 | 0.681511 | standard |
| 7.90748 | 0.686594 | standard |
| 7.91243 | 0.673301 | standard |
| 7.91321 | 0.668117 | standard |