Nitrobenzene
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01679 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H | |
| Note 1 | acetone 2.0595 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| nitrobenzene | Solute | Saturated1 |
| acetone | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 10 | 11 | 13 | 14 | 12 | |
|---|---|---|---|---|---|
| 10 | 7.852 | 7.766 | 0 | 0 | 7.766 |
| 11 | 0 | 7.7 | 7.766 | 0 | 0 |
| 13 | 0 | 0 | 8.265 | 0 | 0 |
| 14 | 0 | 0 | 0 | 8.265 | 7.766 |
| 12 | 0 | 0 | 0 | 0 | 7.7 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| -0.432807 | 1.125e-06 | standard |
| 7.68414 | 0.457801 | standard |
| 7.69962 | 0.981362 | standard |
| 7.71513 | 0.570332 | standard |
| 7.83769 | 0.311615 | standard |
| 7.85316 | 0.472506 | standard |
| 7.86863 | 0.213532 | standard |
| 8.25726 | 1.0 | standard |
| 8.2727 | 0.974505 | standard |
| -0.999161 | 9.8125e-05 | standard |
| 7.65372 | 0.400662 | standard |
| 7.79392 | 1.0 | standard |
| 8.19849 | 0.52669 | standard |
| 8.36747 | 0.339068 | standard |
| -0.979522 | 4.5125e-05 | standard |
| 7.57718 | 0.116553 | standard |
| 7.67611 | 0.450573 | standard |
| 7.78379 | 1.0 | standard |
| 7.89398 | 0.171588 | standard |
| 8.0077 | 0.07148 | standard |
| 8.22015 | 0.589132 | standard |
| 8.33131 | 0.423264 | standard |
| -0.998467 | 3.3125e-05 | standard |
| 7.60186 | 0.171022 | standard |
| 7.68471 | 0.612879 | standard |
| 7.77495 | 1.0 | standard |
| 7.852 | 0.230515 | standard |
| 7.87867 | 0.223373 | standard |
| 7.96794 | 0.087667 | standard |
| 8.22753 | 0.796688 | standard |
| 8.31428 | 0.599372 | standard |
| -0.978233 | 3.0125e-05 | standard |
| 7.60977 | 0.218416 | standard |
| 7.68724 | 0.744562 | standard |
| 7.76689 | 1.0 | standard |
| 7.85423 | 0.259549 | standard |
| 7.87376 | 0.272983 | standard |
| 7.95439 | 0.107356 | standard |
| 8.23033 | 0.954098 | standard |
| 8.30865 | 0.732404 | standard |
| -0.973769 | 2.5125e-05 | standard |
| 7.61678 | 0.244671 | standard |
| 7.68926 | 0.791477 | standard |
| 7.76152 | 0.941492 | standard |
| 7.79735 | 0.675198 | standard |
| 7.87001 | 0.296162 | standard |
| 7.94347 | 0.11749 | standard |
| 8.2327 | 1.0 | standard |
| 8.30423 | 0.782252 | standard |
| -0.931913 | 6.125e-06 | standard |
| 7.65887 | 0.355407 | standard |
| 7.69709 | 0.89427 | standard |
| 7.7352 | 0.66961 | standard |
| 7.81921 | 0.407887 | standard |
| 7.85696 | 0.384846 | standard |
| 7.89538 | 0.163176 | standard |
| 8.24665 | 1.0 | standard |
| 8.28452 | 0.881006 | standard |
| -0.964347 | 3.125e-06 | standard |
| 7.67308 | 0.403563 | standard |
| 7.69874 | 0.938098 | standard |
| 7.72441 | 0.610299 | standard |
| 7.82893 | 0.347815 | standard |
| 7.85449 | 0.429999 | standard |
| 7.8802 | 0.186723 | standard |
| 8.25239 | 1.0 | standard |
| 8.27797 | 0.918055 | standard |
| -0.103211 | 1.125e-06 | standard |
| 7.68004 | 0.429756 | standard |
| 7.69934 | 0.956749 | standard |
| 7.71864 | 0.585444 | standard |
| 7.83435 | 0.322234 | standard |
| 7.85362 | 0.453651 | standard |
| 7.87294 | 0.201296 | standard |
| 8.25542 | 1.00016 | standard |
| 8.27468 | 0.938013 | standard |
| -0.433402 | 1.125e-06 | standard |
| 7.68414 | 0.457769 | standard |
| 7.69962 | 0.98129 | standard |
| 7.71513 | 0.57026 | standard |
| 7.83772 | 0.311692 | standard |
| 7.85316 | 0.472491 | standard |
| 7.86863 | 0.213527 | standard |
| 8.25727 | 1.00002 | standard |
| 8.2727 | 0.974478 | standard |
| -0.747228 | 1.125e-06 | standard |
| 7.68686 | 0.467958 | standard |
| 7.69978 | 0.984562 | standard |
| 7.71268 | 0.561315 | standard |
| 7.84002 | 0.301845 | standard |
| 7.85296 | 0.478925 | standard |
| 7.86584 | 0.220341 | standard |
| 8.2585 | 1.00036 | standard |
| 8.27141 | 0.979211 | standard |
| 7.68884 | 0.480087 | standard |
| 7.69987 | 0.993337 | standard |
| 7.71092 | 0.554666 | standard |
| 7.84176 | 0.296488 | standard |
| 7.85278 | 0.485911 | standard |
| 7.86386 | 0.226179 | standard |
| 8.2594 | 1.00034 | standard |
| 8.27043 | 0.991799 | standard |
| 7.68958 | 0.482755 | standard |
| 7.69991 | 0.994303 | standard |
| 7.71022 | 0.551522 | standard |
| 7.8424 | 0.29362 | standard |
| 7.85276 | 0.48732 | standard |
| 7.86307 | 0.228277 | standard |
| 8.25975 | 1.0001 | standard |
| 8.27009 | 0.993167 | standard |
| 7.69025 | 0.484359 | standard |
| 7.69993 | 0.994492 | standard |
| 7.70961 | 0.549752 | standard |
| 7.84304 | 0.291325 | standard |
| 7.85268 | 0.488828 | standard |
| 7.86237 | 0.229873 | standard |
| 8.26007 | 1.00041 | standard |
| 8.26976 | 0.991768 | standard |
| 7.69136 | 0.484648 | standard |
| 7.69996 | 0.987263 | standard |
| 7.70854 | 0.542698 | standard |
| 7.84406 | 0.287287 | standard |
| 7.85265 | 0.490876 | standard |
| 7.86126 | 0.232437 | standard |
| 8.26062 | 1.00004 | standard |
| 8.26923 | 0.992839 | standard |
| 7.69181 | 0.485626 | standard |
| 7.7 | 0.989941 | standard |
| 7.70815 | 0.544224 | standard |
| 7.84445 | 0.285648 | standard |
| 7.85258 | 0.491375 | standard |
| 7.86079 | 0.233694 | standard |
| 8.26083 | 1.00003 | standard |
| 8.26895 | 0.993251 | standard |
| 7.69226 | 0.491802 | standard |
| 7.70003 | 0.999158 | standard |
| 7.70775 | 0.543203 | standard |
| 7.84485 | 0.285348 | standard |
| 7.85257 | 0.494404 | standard |
| 7.8603 | 0.236041 | standard |
| 8.26103 | 1.00002 | standard |
| 8.26875 | 1.00002 | standard |
| 7.693 | 0.49552 | standard |
| 7.70003 | 0.998223 | standard |
| 7.70706 | 0.540169 | standard |
| 7.84554 | 0.28276 | standard |
| 7.85256 | 0.494519 | standard |
| 7.8596 | 0.237863 | standard |
| 8.26138 | 1.00018 | standard |
| 8.26843 | 1.0006 | standard |
| 7.69409 | 0.498143 | standard |
| 7.70005 | 1.00014 | standard |
| 7.70599 | 0.537558 | standard |
| 7.84653 | 0.279043 | standard |
| 7.85249 | 0.496159 | standard |
| 7.85851 | 0.240782 | standard |
| 8.2619 | 1.00034 | standard |
| 8.26787 | 0.998811 | standard |