Acenaphthene
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01642 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2 | |
| Note 1 | Oscar Li |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Acenaphthene | solute | 100mM |
| Chloroform-d | solvent | 100.0% |
| TMS | reference | 0.05% |
Spin System Matrix
| 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | 22 | |
|---|---|---|---|---|---|---|---|---|---|---|
| 13 | 7.429 | 0 | 8.066 | 0 | 6.887 | 0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 7.429 | 0 | 8.066 | 0 | 6.887 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 7.58 | 0 | 0.13 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 7.58 | 0 | 0.13 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 7.27 | 0 | 0 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 7.27 | 0 | 0 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 0 | 3.392 | 0 | 0 | 0 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.392 | 0 | 0 |
| 21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.392 | 0 |
| 22 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.392 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.39164 | 1.00028 | standard |
| 7.26253 | 0.229287 | standard |
| 7.27626 | 0.271809 | standard |
| 7.41427 | 0.126703 | standard |
| 7.43021 | 0.187349 | standard |
| 7.44412 | 0.132089 | standard |
| 7.57233 | 0.276406 | standard |
| 7.58839 | 0.224365 | standard |
| 3.39164 | 1.0 | standard |
| 7.11468 | 0.0245111 | standard |
| 7.19978 | 0.0883491 | standard |
| 7.27149 | 0.200211 | standard |
| 7.32827 | 0.275371 | standard |
| 7.4341 | 0.458487 | standard |
| 7.51814 | 0.302819 | standard |
| 7.56486 | 0.215767 | standard |
| 7.59648 | 0.164524 | standard |
| 7.67568 | 0.0588131 | standard |
| 7.75919 | 0.0202951 | standard |
| 3.39164 | 1.0 | standard |
| 7.18346 | 0.051662 | standard |
| 7.21487 | 0.0854493 | standard |
| 7.28194 | 0.208932 | standard |
| 7.31329 | 0.359427 | standard |
| 7.43305 | 0.340044 | standard |
| 7.53244 | 0.392463 | standard |
| 7.56393 | 0.217781 | standard |
| 7.65182 | 0.067399 | standard |
| 7.68331 | 0.0426014 | standard |
| 3.39164 | 1.00001 | standard |
| 7.22551 | 0.101188 | standard |
| 7.29054 | 0.23482 | standard |
| 7.30348 | 0.251099 | standard |
| 7.33835 | 0.156499 | standard |
| 7.43255 | 0.276701 | standard |
| 7.51171 | 0.183995 | standard |
| 7.54263 | 0.269477 | standard |
| 7.55544 | 0.248701 | standard |
| 7.63643 | 0.0847882 | standard |
| 3.39164 | 1.00001 | standard |
| 7.22927 | 0.111575 | standard |
| 7.29252 | 0.250615 | standard |
| 7.29947 | 0.256469 | standard |
| 7.3478 | 0.143029 | standard |
| 7.43248 | 0.258146 | standard |
| 7.50368 | 0.166449 | standard |
| 7.54675 | 0.272153 | standard |
| 7.55358 | 0.264626 | standard |
| 7.63095 | 0.095795 | standard |
| 3.39164 | 1.00001 | standard |
| 7.2323 | 0.123209 | standard |
| 7.29573 | 0.266927 | standard |
| 7.35542 | 0.136739 | standard |
| 7.4324 | 0.245532 | standard |
| 7.49723 | 0.158575 | standard |
| 7.55062 | 0.282268 | standard |
| 7.62648 | 0.107259 | standard |
| 3.39164 | 1.00005 | standard |
| 7.25093 | 0.190561 | standard |
| 7.28474 | 0.290682 | standard |
| 7.39167 | 0.12646 | standard |
| 7.43131 | 0.205815 | standard |
| 7.46541 | 0.138953 | standard |
| 7.56271 | 0.300092 | standard |
| 7.60254 | 0.178198 | standard |
| 3.39164 | 1.0001 | standard |
| 7.25748 | 0.212881 | standard |
| 7.28023 | 0.282321 | standard |
| 7.40423 | 0.126121 | standard |
| 7.43071 | 0.195601 | standard |
| 7.45374 | 0.134852 | standard |
| 7.56776 | 0.289763 | standard |
| 7.59448 | 0.203654 | standard |
| 3.39164 | 1.00018 | standard |
| 7.26065 | 0.224302 | standard |
| 7.2778 | 0.27614 | standard |
| 7.41051 | 0.12635 | standard |
| 7.43043 | 0.190043 | standard |
| 7.44779 | 0.133266 | standard |
| 7.57054 | 0.280539 | standard |
| 7.59067 | 0.215819 | standard |
| 3.39164 | 1.00028 | standard |
| 7.26253 | 0.229288 | standard |
| 7.27626 | 0.271788 | standard |
| 7.41427 | 0.126734 | standard |
| 7.43022 | 0.187226 | standard |
| 7.44412 | 0.132098 | standard |
| 7.57233 | 0.276526 | standard |
| 7.58839 | 0.224283 | standard |
| 3.39164 | 1.0004 | standard |
| 7.26377 | 0.233362 | standard |
| 7.27522 | 0.268987 | standard |
| 7.41683 | 0.126917 | standard |
| 7.43007 | 0.184499 | standard |
| 7.44171 | 0.131127 | standard |
| 7.57352 | 0.271179 | standard |
| 7.58695 | 0.229102 | standard |
| 3.39164 | 1.00054 | standard |
| 7.26463 | 0.236913 | standard |
| 7.27444 | 0.266092 | standard |
| 7.41864 | 0.127302 | standard |
| 7.42998 | 0.183174 | standard |
| 7.43996 | 0.131326 | standard |
| 7.57436 | 0.269915 | standard |
| 7.58587 | 0.231278 | standard |
| 3.39164 | 1.00062 | standard |
| 7.265 | 0.237936 | standard |
| 7.27415 | 0.265442 | standard |
| 7.41933 | 0.127294 | standard |
| 7.42988 | 0.184504 | standard |
| 7.43926 | 0.130988 | standard |
| 7.57475 | 0.268505 | standard |
| 7.58546 | 0.233317 | standard |
| 3.39164 | 1.00071 | standard |
| 7.26529 | 0.238479 | standard |
| 7.27388 | 0.266234 | standard |
| 7.41993 | 0.127574 | standard |
| 7.42899 | 0.165256 | standard |
| 7.4299 | 0.182059 | standard |
| 7.43864 | 0.130438 | standard |
| 7.57505 | 0.266997 | standard |
| 7.58517 | 0.234367 | standard |
| 3.39164 | 1.00089 | standard |
| 7.26579 | 0.239963 | standard |
| 7.27344 | 0.263497 | standard |
| 7.42102 | 0.127804 | standard |
| 7.4298 | 0.182659 | standard |
| 7.43758 | 0.131032 | standard |
| 7.5756 | 0.26735 | standard |
| 7.58452 | 0.237617 | standard |
| 3.39164 | 1.00099 | standard |
| 7.266 | 0.240785 | standard |
| 7.27324 | 0.262693 | standard |
| 7.42141 | 0.127546 | standard |
| 7.42906 | 0.168333 | standard |
| 7.42981 | 0.181525 | standard |
| 7.43718 | 0.130879 | standard |
| 7.5758 | 0.266589 | standard |
| 7.58427 | 0.236086 | standard |
| 3.39164 | 1.00109 | standard |
| 7.2662 | 0.241242 | standard |
| 7.27304 | 0.262082 | standard |
| 7.42181 | 0.12796 | standard |
| 7.42905 | 0.170168 | standard |
| 7.42978 | 0.181506 | standard |
| 7.43678 | 0.130637 | standard |
| 7.57599 | 0.265652 | standard |
| 7.58408 | 0.236912 | standard |
| 3.39164 | 1.0013 | standard |
| 7.2665 | 0.241478 | standard |
| 7.27278 | 0.263325 | standard |
| 7.4225 | 0.128145 | standard |
| 7.42897 | 0.167124 | standard |
| 7.42973 | 0.179577 | standard |
| 7.43609 | 0.130617 | standard |
| 7.57636 | 0.261773 | standard |
| 7.58368 | 0.237633 | standard |
| 3.39164 | 1.00179 | standard |
| 7.26703 | 0.245574 | standard |
| 7.2723 | 0.260244 | standard |
| 7.4236 | 0.128625 | standard |
| 7.429 | 0.166536 | standard |
| 7.42972 | 0.175833 | standard |
| 7.4351 | 0.130614 | standard |
| 7.57689 | 0.262854 | standard |
| 7.58313 | 0.242427 | standard |