4-Phenylpyridine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02768 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H | |
| Note 1 | 20,21?18,19 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Phenylpyridine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | |
|---|---|---|---|---|---|---|---|---|---|
| 13 | 7.545 | 8.217 | 8.217 | 0 | 0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 7.584 | 1.5 | 8.217 | 0 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 7.584 | 0 | 8.217 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 7.823 | 1.5 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 7.823 | 0 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 7.764 | 1.5 | 6.287 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 0 | 7.764 | 0 | 6.287 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.585 | 1.5 |
| 21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.585 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.52908 | 0.148477 | standard |
| 7.5426 | 0.313892 | standard |
| 7.5557 | 0.522245 | standard |
| 7.57221 | 0.609393 | standard |
| 7.58508 | 0.778533 | standard |
| 7.598 | 0.28648 | standard |
| 7.75902 | 0.994637 | standard |
| 7.76937 | 1.00003 | standard |
| 7.81654 | 0.964059 | standard |
| 7.82958 | 0.862793 | standard |
| 8.5797 | 0.997478 | standard |
| 8.59004 | 0.992766 | standard |
| 7.49228 | 0.255116 | standard |
| 7.62557 | 0.898251 | standard |
| 7.67777 | 1.0 | standard |
| 7.83401 | 0.828603 | standard |
| 8.51447 | 0.58625 | standard |
| 8.66968 | 0.413157 | standard |
| 7.55221 | 0.542483 | standard |
| 7.60491 | 0.709841 | standard |
| 7.7084 | 0.823873 | standard |
| 7.81152 | 1.0 | standard |
| 8.53645 | 0.664686 | standard |
| 8.63966 | 0.526125 | standard |
| 7.55395 | 0.5597 | standard |
| 7.59898 | 0.589072 | standard |
| 7.64803 | 0.289782 | standard |
| 7.7241 | 0.686732 | standard |
| 7.80095 | 1.00001 | standard |
| 8.54792 | 0.616864 | standard |
| 8.62529 | 0.517941 | standard |
| 7.554 | 0.572248 | standard |
| 7.59721 | 0.559509 | standard |
| 7.64178 | 0.256355 | standard |
| 7.72852 | 0.638958 | standard |
| 7.79724 | 1.0 | standard |
| 7.83463 | 0.353067 | standard |
| 8.55186 | 0.611635 | standard |
| 8.62068 | 0.522801 | standard |
| 7.54207 | 0.56112 | standard |
| 7.55481 | 0.584603 | standard |
| 7.59594 | 0.534678 | standard |
| 7.63667 | 0.229144 | standard |
| 7.73221 | 0.610513 | standard |
| 7.79399 | 1.00001 | standard |
| 7.83425 | 0.346714 | standard |
| 7.86815 | 0.219703 | standard |
| 8.55506 | 0.605309 | standard |
| 8.6169 | 0.525979 | standard |
| 7.49322 | 0.043152 | standard |
| 7.56016 | 1.0 | standard |
| 7.58878 | 0.646098 | standard |
| 7.61627 | 0.19817 | standard |
| 7.63819 | 0.11753 | standard |
| 7.7485 | 0.82056 | standard |
| 7.77956 | 0.93753 | standard |
| 7.80643 | 0.689565 | standard |
| 7.83807 | 0.437344 | standard |
| 7.84448 | 0.425278 | standard |
| 8.56965 | 0.864774 | standard |
| 8.60058 | 0.80288 | standard |
| 7.51114 | 0.0722142 | standard |
| 7.53878 | 0.169415 | standard |
| 7.54479 | 0.220052 | standard |
| 7.56302 | 1.00002 | standard |
| 7.58652 | 0.651372 | standard |
| 7.60797 | 0.201044 | standard |
| 7.61842 | 0.154791 | standard |
| 7.75386 | 0.897569 | standard |
| 7.77446 | 0.927151 | standard |
| 7.81127 | 0.77578 | standard |
| 7.83532 | 0.571535 | standard |
| 8.57462 | 0.905594 | standard |
| 8.59521 | 0.890815 | standard |
| 7.52026 | 0.106277 | standard |
| 7.54024 | 0.224435 | standard |
| 7.54441 | 0.229453 | standard |
| 7.55902 | 0.659279 | standard |
| 7.56755 | 0.707647 | standard |
| 7.58573 | 0.718932 | standard |
| 7.60309 | 0.238165 | standard |
| 7.60851 | 0.202319 | standard |
| 7.75649 | 0.995031 | standard |
| 7.77191 | 1.00009 | standard |
| 7.81392 | 0.922973 | standard |
| 7.83292 | 0.752809 | standard |
| 7.8639 | 0.013821 | standard |
| 8.57716 | 0.993118 | standard |
| 8.59257 | 0.990924 | standard |
| 7.52564 | 0.129199 | standard |
| 7.54169 | 0.272835 | standard |
| 7.5571 | 0.564099 | standard |
| 7.57023 | 0.642501 | standard |
| 7.58541 | 0.749527 | standard |
| 7.59996 | 0.259837 | standard |
| 7.75806 | 1.00001 | standard |
| 7.77045 | 0.997927 | standard |
| 7.81541 | 0.956295 | standard |
| 7.8309 | 0.827176 | standard |
| 8.57862 | 0.994024 | standard |
| 8.59101 | 0.997344 | standard |
| 7.52908 | 0.148476 | standard |
| 7.5426 | 0.313892 | standard |
| 7.5557 | 0.522249 | standard |
| 7.57221 | 0.609398 | standard |
| 7.58508 | 0.778536 | standard |
| 7.598 | 0.286482 | standard |
| 7.75902 | 0.994637 | standard |
| 7.76937 | 1.00003 | standard |
| 7.81654 | 0.964061 | standard |
| 7.82958 | 0.862795 | standard |
| 8.5797 | 0.997477 | standard |
| 8.59004 | 0.992765 | standard |
| 7.53153 | 0.164388 | standard |
| 7.54314 | 0.349258 | standard |
| 7.55449 | 0.491009 | standard |
| 7.57371 | 0.592256 | standard |
| 7.58495 | 0.802155 | standard |
| 7.59631 | 0.313352 | standard |
| 7.75981 | 0.999887 | standard |
| 7.76869 | 1.00031 | standard |
| 7.81735 | 0.966543 | standard |
| 7.8287 | 0.887618 | standard |
| 8.58038 | 0.998488 | standard |
| 8.58926 | 0.998487 | standard |
| 7.53249 | 0.171484 | standard |
| 7.54333 | 0.368205 | standard |
| 7.55394 | 0.481408 | standard |
| 7.57433 | 0.583206 | standard |
| 7.58488 | 0.833854 | standard |
| 7.59556 | 0.328125 | standard |
| 7.7601 | 0.999071 | standard |
| 7.7684 | 1.00052 | standard |
| 7.81775 | 0.970984 | standard |
| 7.82832 | 0.893067 | standard |
| 8.58067 | 0.998948 | standard |
| 8.58897 | 0.997845 | standard |
| 7.53331 | 0.176696 | standard |
| 7.54354 | 0.376339 | standard |
| 7.55352 | 0.465536 | standard |
| 7.57492 | 0.579525 | standard |
| 7.58479 | 0.831735 | standard |
| 7.59489 | 0.341677 | standard |
| 7.7604 | 1.00047 | standard |
| 7.76811 | 0.993207 | standard |
| 7.81804 | 0.95988 | standard |
| 7.82798 | 0.895417 | standard |
| 8.58096 | 0.991855 | standard |
| 8.58867 | 0.999398 | standard |
| 7.53469 | 0.18791 | standard |
| 7.54377 | 0.408938 | standard |
| 7.55271 | 0.445861 | standard |
| 7.57585 | 0.574204 | standard |
| 7.58476 | 0.852326 | standard |
| 7.59375 | 0.358735 | standard |
| 7.76078 | 1.00095 | standard |
| 7.76771 | 1.00115 | standard |
| 7.81857 | 0.977786 | standard |
| 7.82745 | 0.907836 | standard |
| 8.58135 | 1.00009 | standard |
| 8.58828 | 1.00009 | standard |
| 7.53526 | 0.192423 | standard |
| 7.54387 | 0.412683 | standard |
| 7.55233 | 0.437997 | standard |
| 7.57625 | 0.56461 | standard |
| 7.5847 | 0.867912 | standard |
| 7.59323 | 0.365627 | standard |
| 7.76098 | 1.00115 | standard |
| 7.76752 | 1.00131 | standard |
| 7.81876 | 0.965735 | standard |
| 7.82721 | 0.908258 | standard |
| 8.58155 | 1.00037 | standard |
| 8.58809 | 1.00037 | standard |
| 7.53578 | 0.195377 | standard |
| 7.54398 | 0.424498 | standard |
| 7.55204 | 0.428502 | standard |
| 7.57667 | 0.566216 | standard |
| 7.58468 | 0.872109 | standard |
| 7.59283 | 0.370783 | standard |
| 7.76117 | 0.991803 | standard |
| 7.76732 | 1.00136 | standard |
| 7.81895 | 0.97577 | standard |
| 7.82697 | 0.912235 | standard |
| 8.58174 | 0.991104 | standard |
| 8.58789 | 1.00052 | standard |
| 7.53796 | 0.217434 | standard |
| 7.54423 | 0.472548 | standard |
| 7.55053 | 0.398245 | standard |
| 7.57836 | 0.560985 | standard |
| 7.58456 | 0.914525 | standard |
| 7.59083 | 0.408524 | standard |
| 7.76186 | 1.00197 | standard |
| 7.76664 | 1.00203 | standard |
| 7.81988 | 0.964234 | standard |
| 7.82606 | 0.955415 | standard |
| 8.58243 | 1.00155 | standard |
| 8.58721 | 1.00155 | standard |