Biphenyl
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.01727 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| biphenyl | Solute | Saturated1 |
| CDCl3 | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 13 | 15 | 19 | 20 | 16 | 14 | 17 | 21 | 22 | 18 | |
|---|---|---|---|---|---|---|---|---|---|---|
| 13 | 7.344 | 7.5 | 2.0 | 2.0 | 7.5 | 0 | 0 | 0 | 0 | 0 |
| 15 | 0 | 7.439 | 7.5 | 0.1 | 2.0 | 0 | 0 | 0 | 0 | 0 |
| 19 | 0 | 0 | 7.594 | 2.0 | 0.1 | 0 | 0 | 0 | 0 | 0 |
| 20 | 0 | 0 | 0 | 7.594 | 7.5 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 0 | 7.439 | 0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 0 | 0 | 0 | 7.344 | 7.5 | 2.0 | 2.0 | 7.5 |
| 17 | 0 | 0 | 0 | 0 | 0 | 0 | 7.439 | 7.5 | 0.1 | 2.0 |
| 21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.594 | 2.0 | 0.1 |
| 22 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.594 | 7.5 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.439 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| -0.799896 | 1.125e-06 | standard |
| 7.31973 | 0.0913952 | standard |
| 7.32397 | 0.147459 | standard |
| 7.3288 | 0.112734 | standard |
| 7.34244 | 0.37492 | standard |
| 7.35624 | 0.201297 | standard |
| 7.36094 | 0.296751 | standard |
| 7.36547 | 0.189382 | standard |
| 7.42133 | 0.574658 | standard |
| 7.43973 | 1.00006 | standard |
| 7.45817 | 0.456822 | standard |
| 7.58342 | 0.769713 | standard |
| 7.58769 | 0.846131 | standard |
| 7.6022 | 0.660686 | standard |
| 7.60631 | 0.591947 | standard |
| -0.998169 | 2.9125e-05 | standard |
| 7.27834 | 0.175346 | standard |
| 7.46406 | 1.0 | standard |
| 7.5179 | 0.979178 | standard |
| 7.67429 | 0.170429 | standard |
| -0.99083 | 2.1125e-05 | standard |
| 7.33268 | 0.419897 | standard |
| 7.37792 | 0.704774 | standard |
| 7.45609 | 1.0 | standard |
| 7.53293 | 0.923799 | standard |
| 7.61163 | 0.398241 | standard |
| -0.973571 | 1.5125e-05 | standard |
| 7.23395 | 0.053961 | standard |
| 7.25235 | 0.0568451 | standard |
| 7.37906 | 0.908091 | standard |
| 7.42073 | 0.734385 | standard |
| 7.44759 | 1.0 | standard |
| 7.49501 | 0.544462 | standard |
| 7.50425 | 0.552584 | standard |
| 7.54828 | 0.997957 | standard |
| 7.57099 | 0.881377 | standard |
| 7.63409 | 0.359657 | standard |
| -0.998268 | 1.3125e-05 | standard |
| 7.26207 | 0.0654042 | standard |
| 7.32733 | 0.244182 | standard |
| 7.38059 | 0.956727 | standard |
| 7.41293 | 0.649273 | standard |
| 7.44587 | 0.998148 | standard |
| 7.48907 | 0.490014 | standard |
| 7.55116 | 1.0 | standard |
| 7.57427 | 0.892882 | standard |
| 7.6312 | 0.399123 | standard |
| -0.918523 | 1.0125e-05 | standard |
| 7.25298 | 0.064558 | standard |
| 7.27199 | 0.0725034 | standard |
| 7.31979 | 0.256996 | standard |
| 7.38111 | 1.0 | standard |
| 7.40647 | 0.620463 | standard |
| 7.44473 | 0.986311 | standard |
| 7.48792 | 0.435781 | standard |
| 7.55579 | 0.917447 | standard |
| 7.57614 | 0.927392 | standard |
| 7.62943 | 0.433757 | standard |
| 7.64771 | 0.346892 | standard |
| -0.912571 | 3.125e-06 | standard |
| 7.30101 | 0.114341 | standard |
| 7.31236 | 0.103948 | standard |
| 7.31924 | 0.117429 | standard |
| 7.337 | 0.362981 | standard |
| 7.36278 | 0.293024 | standard |
| 7.37283 | 0.451476 | standard |
| 7.38328 | 0.327529 | standard |
| 7.40469 | 0.658584 | standard |
| 7.4409 | 1.00003 | standard |
| 7.47408 | 0.381917 | standard |
| 7.57422 | 0.868518 | standard |
| 7.58194 | 0.97207 | standard |
| 7.61121 | 0.607424 | standard |
| -0.368435 | 1.125e-06 | standard |
| 7.31087 | 0.0839097 | standard |
| 7.31652 | 0.135946 | standard |
| 7.32314 | 0.108346 | standard |
| 7.34098 | 0.372214 | standard |
| 7.35064 | 0.185528 | standard |
| 7.35913 | 0.231639 | standard |
| 7.36545 | 0.344897 | standard |
| 7.3717 | 0.220909 | standard |
| 7.41559 | 0.607044 | standard |
| 7.44002 | 1.00006 | standard |
| 7.46412 | 0.430589 | standard |
| 7.58018 | 0.811436 | standard |
| 7.58567 | 0.891474 | standard |
| 7.60511 | 0.647354 | standard |
| 7.61039 | 0.569391 | standard |
| -0.7994 | 1.125e-06 | standard |
| 7.31974 | 0.0914051 | standard |
| 7.32397 | 0.147455 | standard |
| 7.3288 | 0.112748 | standard |
| 7.34244 | 0.374936 | standard |
| 7.35624 | 0.201352 | standard |
| 7.36094 | 0.296798 | standard |
| 7.36546 | 0.189435 | standard |
| 7.42133 | 0.574694 | standard |
| 7.43973 | 1.00006 | standard |
| 7.45816 | 0.457726 | standard |
| 7.58338 | 0.767269 | standard |
| 7.58769 | 0.844912 | standard |
| 7.6022 | 0.660617 | standard |
| 7.6063 | 0.591423 | standard |
| 7.32491 | 0.0957092 | standard |
| 7.32826 | 0.153547 | standard |
| 7.33204 | 0.112494 | standard |
| 7.34311 | 0.371348 | standard |
| 7.35429 | 0.184688 | standard |
| 7.35802 | 0.272684 | standard |
| 7.36158 | 0.172144 | standard |
| 7.42482 | 0.559424 | standard |
| 7.43966 | 1.0 | standard |
| 7.4545 | 0.472293 | standard |
| 7.58544 | 0.733062 | standard |
| 7.58893 | 0.808334 | standard |
| 7.6005 | 0.661032 | standard |
| 7.60392 | 0.591198 | standard |
| 7.32821 | 0.0989075 | standard |
| 7.33108 | 0.159188 | standard |
| 7.33425 | 0.115627 | standard |
| 7.34348 | 0.372909 | standard |
| 7.35285 | 0.175308 | standard |
| 7.35593 | 0.257295 | standard |
| 7.35884 | 0.159723 | standard |
| 7.42718 | 0.550698 | standard |
| 7.43958 | 1.00011 | standard |
| 7.45197 | 0.484961 | standard |
| 7.58685 | 0.718852 | standard |
| 7.58976 | 0.795918 | standard |
| 7.59941 | 0.666656 | standard |
| 7.60228 | 0.599821 | standard |
| 7.3306 | 0.10095 | standard |
| 7.33306 | 0.160957 | standard |
| 7.33575 | 0.116981 | standard |
| 7.3437 | 0.373192 | standard |
| 7.35171 | 0.168346 | standard |
| 7.35435 | 0.243765 | standard |
| 7.35682 | 0.152569 | standard |
| 7.42892 | 0.544702 | standard |
| 7.43951 | 1.00077 | standard |
| 7.4502 | 0.486139 | standard |
| 7.58788 | 0.705717 | standard |
| 7.59038 | 0.77594 | standard |
| 7.59863 | 0.669013 | standard |
| 7.60108 | 0.603978 | standard |
| 7.33158 | 0.10254 | standard |
| 7.33385 | 0.163383 | standard |
| 7.33635 | 0.118551 | standard |
| 7.3438 | 0.373633 | standard |
| 7.35131 | 0.166154 | standard |
| 7.35375 | 0.240608 | standard |
| 7.35605 | 0.150722 | standard |
| 7.42961 | 0.539797 | standard |
| 7.43952 | 1.00059 | standard |
| 7.44946 | 0.489481 | standard |
| 7.58826 | 0.699127 | standard |
| 7.59061 | 0.773706 | standard |
| 7.59832 | 0.668496 | standard |
| 7.60061 | 0.608443 | standard |
| 7.33249 | 0.104317 | standard |
| 7.33455 | 0.165354 | standard |
| 7.33684 | 0.11993 | standard |
| 7.34385 | 0.372756 | standard |
| 7.35091 | 0.164528 | standard |
| 7.35315 | 0.236588 | standard |
| 7.35543 | 0.146116 | standard |
| 7.43016 | 0.535686 | standard |
| 7.43949 | 1.00044 | standard |
| 7.44884 | 0.491586 | standard |
| 7.58864 | 0.69383 | standard |
| 7.59082 | 0.770428 | standard |
| 7.59809 | 0.670807 | standard |
| 7.60023 | 0.608147 | standard |
| 7.33563 | 0.16801 | standard |
| 7.33778 | 0.120487 | standard |
| 7.34395 | 0.373096 | standard |
| 7.35016 | 0.159466 | standard |
| 7.35227 | 0.232113 | standard |
| 7.35405 | 0.147316 | standard |
| 7.43118 | 0.5348 | standard |
| 7.43948 | 1.00021 | standard |
| 7.44779 | 0.49459 | standard |
| 7.58927 | 0.688859 | standard |
| 7.59122 | 0.766478 | standard |
| 7.59765 | 0.673047 | standard |
| 7.59954 | 0.613905 | standard |
| 7.33444 | 0.10652 | standard |
| 7.33613 | 0.168727 | standard |
| 7.33805 | 0.121458 | standard |
| 7.344 | 0.373762 | standard |
| 7.34999 | 0.158947 | standard |
| 7.35187 | 0.229214 | standard |
| 7.35362 | 0.144476 | standard |
| 7.43168 | 0.533727 | standard |
| 7.43945 | 1.00012 | standard |
| 7.44733 | 0.493694 | standard |
| 7.5895 | 0.678844 | standard |
| 7.59138 | 0.753584 | standard |
| 7.59749 | 0.671418 | standard |
| 7.59926 | 0.613709 | standard |
| 7.33487 | 0.107303 | standard |
| 7.33652 | 0.169466 | standard |
| 7.33849 | 0.120789 | standard |
| 7.34402 | 0.37482 | standard |
| 7.34967 | 0.158475 | standard |
| 7.35147 | 0.227072 | standard |
| 7.35332 | 0.139576 | standard |
| 7.43203 | 0.535669 | standard |
| 7.43945 | 1.00008 | standard |
| 7.44697 | 0.498454 | standard |
| 7.58974 | 0.680646 | standard |
| 7.59152 | 0.75306 | standard |
| 7.59727 | 0.672993 | standard |
| 7.59901 | 0.611651 | standard |
| 7.33566 | 0.106328 | standard |
| 7.33732 | 0.172558 | standard |
| 7.33895 | 0.124822 | standard |
| 7.34405 | 0.376682 | standard |
| 7.34927 | 0.157084 | standard |
| 7.35088 | 0.225999 | standard |
| 7.35233 | 0.142932 | standard |
| 7.43269 | 0.533277 | standard |
| 7.43945 | 1.00009 | standard |
| 7.44628 | 0.496239 | standard |
| 7.59017 | 0.683601 | standard |
| 7.59173 | 0.755685 | standard |
| 7.597 | 0.681474 | standard |
| 7.59861 | 0.611565 | standard |
| 7.33702 | 0.107865 | standard |
| 7.33841 | 0.174936 | standard |
| 7.33975 | 0.126211 | standard |
| 7.34415 | 0.372329 | standard |
| 7.34856 | 0.153884 | standard |
| 7.34988 | 0.218869 | standard |
| 7.35127 | 0.134792 | standard |
| 7.43374 | 0.528257 | standard |
| 7.43946 | 1.00007 | standard |
| 7.4452 | 0.500135 | standard |
| 7.59082 | 0.664681 | standard |
| 7.59213 | 0.744844 | standard |
| 7.5966 | 0.672109 | standard |
| 7.59792 | 0.617296 | standard |