Pyridine
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00834 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Pyridine | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 7 | 8 | 10 | 11 | 9 | |
|---|---|---|---|---|---|
| 7 | 7.879 | 7.77 | 1.883 | 1.731 | 7.77 |
| 8 | 0 | 7.458 | 5.616 | 0 | 2.847 |
| 10 | 0 | 0 | 8.517 | 1.883 | 0 |
| 11 | 0 | 0 | 0 | 8.517 | 5.616 |
| 9 | 0 | 0 | 0 | 0 | 7.459 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| -0.620468 | 1.125e-06 | standard |
| 7.44482 | 0.62583 | standard |
| 7.45591 | 0.740689 | standard |
| 7.46024 | 0.784836 | standard |
| 7.47127 | 0.678371 | standard |
| 7.86061 | 0.173397 | standard |
| 7.86375 | 0.276558 | standard |
| 7.867 | 0.18548 | standard |
| 7.87925 | 0.499059 | standard |
| 7.88236 | 0.312419 | standard |
| 7.89147 | 0.162415 | standard |
| 7.89482 | 0.240747 | standard |
| 7.89785 | 0.152199 | standard |
| 8.50989 | 0.833363 | standard |
| 8.5127 | 0.961633 | standard |
| 8.52081 | 1.00006 | standard |
| 8.52349 | 0.814877 | standard |
| -0.99936 | 0.000123125 | standard |
| 7.24937 | 0.216918 | standard |
| 7.30202 | 0.303377 | standard |
| 7.34234 | 0.335655 | standard |
| 7.37266 | 0.341248 | standard |
| 7.46394 | 0.916312 | standard |
| 7.5828 | 0.99419 | standard |
| 7.68687 | 0.409729 | standard |
| 7.73465 | 0.574079 | standard |
| 7.78054 | 0.422143 | standard |
| 7.91496 | 0.411985 | standard |
| 8.01316 | 0.130646 | standard |
| 8.05576 | 0.107335 | standard |
| 8.10588 | 0.126586 | standard |
| 8.14964 | 0.09016 | standard |
| 8.43589 | 1.0 | standard |
| 8.47495 | 0.908529 | standard |
| 8.56888 | 0.989194 | standard |
| -0.986168 | 5.2125e-05 | standard |
| 7.32957 | 0.303024 | standard |
| 7.3492 | 0.352229 | standard |
| 7.37021 | 0.30081 | standard |
| 7.41928 | 0.436937 | standard |
| 7.46759 | 0.827131 | standard |
| 7.55051 | 0.849818 | standard |
| 7.74317 | 0.25364 | standard |
| 7.77142 | 0.433255 | standard |
| 7.80054 | 0.308434 | standard |
| 7.84925 | 0.187665 | standard |
| 7.89679 | 0.411905 | standard |
| 7.94703 | 0.152226 | standard |
| 7.99453 | 0.106425 | standard |
| 8.02438 | 0.146409 | standard |
| 8.05225 | 0.096623 | standard |
| 8.46043 | 0.954316 | standard |
| 8.48581 | 0.887652 | standard |
| 8.55085 | 1.0 | standard |
| -0.981208 | 2.9125e-05 | standard |
| 7.3746 | 0.401619 | standard |
| 7.46679 | 0.803326 | standard |
| 7.53127 | 0.793117 | standard |
| 7.77377 | 0.226335 | standard |
| 7.79396 | 0.380594 | standard |
| 7.81524 | 0.265013 | standard |
| 7.86011 | 0.195087 | standard |
| 7.88932 | 0.425691 | standard |
| 7.96398 | 0.115249 | standard |
| 7.98547 | 0.16462 | standard |
| 8.00593 | 0.106965 | standard |
| 8.4737 | 0.921457 | standard |
| 8.49276 | 0.894992 | standard |
| 8.5422 | 1.0 | standard |
| -0.981208 | 2.3125e-05 | standard |
| 7.38329 | 0.423282 | standard |
| 7.46618 | 0.798353 | standard |
| 7.52432 | 0.777008 | standard |
| 7.78434 | 0.217896 | standard |
| 7.80217 | 0.364491 | standard |
| 7.82094 | 0.252678 | standard |
| 7.8872 | 0.435668 | standard |
| 7.95389 | 0.119267 | standard |
| 7.97284 | 0.171958 | standard |
| 7.99089 | 0.111302 | standard |
| 8.47834 | 0.908973 | standard |
| 8.49525 | 0.900107 | standard |
| 8.53938 | 1.00001 | standard |
| -0.995095 | 1.9125e-05 | standard |
| 7.39035 | 0.44386 | standard |
| 7.44928 | 0.620771 | standard |
| 7.46569 | 0.794104 | standard |
| 7.51852 | 0.764023 | standard |
| 7.79298 | 0.211397 | standard |
| 7.80894 | 0.351704 | standard |
| 7.82565 | 0.241052 | standard |
| 7.88574 | 0.442546 | standard |
| 7.946 | 0.122946 | standard |
| 7.96289 | 0.178436 | standard |
| 7.97899 | 0.115254 | standard |
| 8.48208 | 0.901091 | standard |
| 8.49724 | 0.907956 | standard |
| 8.53708 | 1.0 | standard |
| -0.966033 | 5.125e-06 | standard |
| 7.42413 | 0.560464 | standard |
| 7.45202 | 0.68498 | standard |
| 7.46275 | 0.790996 | standard |
| 7.48998 | 0.702547 | standard |
| 7.83402 | 0.187654 | standard |
| 7.842 | 0.300779 | standard |
| 7.85009 | 0.201413 | standard |
| 7.88072 | 0.477473 | standard |
| 7.91117 | 0.14642 | standard |
| 7.91943 | 0.213018 | standard |
| 7.92729 | 0.133529 | standard |
| 8.4994 | 0.840483 | standard |
| 8.5068 | 0.924777 | standard |
| 8.52691 | 1.00003 | standard |
| -0.695453 | 2.125e-06 | standard |
| 7.43572 | 0.599094 | standard |
| 7.45423 | 0.715654 | standard |
| 7.46146 | 0.791425 | standard |
| 7.47969 | 0.686103 | standard |
| 7.8486 | 0.178766 | standard |
| 7.85394 | 0.287045 | standard |
| 7.85931 | 0.192495 | standard |
| 7.87978 | 0.487966 | standard |
| 7.90012 | 0.15505 | standard |
| 7.90561 | 0.227686 | standard |
| 7.91086 | 0.142666 | standard |
| 8.50522 | 0.830905 | standard |
| 8.51007 | 0.944448 | standard |
| 8.52349 | 1.00001 | standard |
| 8.5281 | 0.797872 | standard |
| -0.260322 | 1.125e-06 | standard |
| 7.44144 | 0.620911 | standard |
| 7.45527 | 0.73548 | standard |
| 7.46071 | 0.783535 | standard |
| 7.47444 | 0.684825 | standard |
| 7.85605 | 0.175126 | standard |
| 7.86003 | 0.280502 | standard |
| 7.86415 | 0.187433 | standard |
| 7.87943 | 0.496174 | standard |
| 7.89475 | 0.160643 | standard |
| 7.89882 | 0.236289 | standard |
| 7.90272 | 0.148425 | standard |
| 8.50811 | 0.828558 | standard |
| 8.51174 | 0.952974 | standard |
| 8.52184 | 1.0002 | standard |
| 8.52517 | 0.808613 | standard |
| -0.620864 | 1.125e-06 | standard |
| 7.44482 | 0.625813 | standard |
| 7.45591 | 0.740733 | standard |
| 7.46024 | 0.784833 | standard |
| 7.47128 | 0.678396 | standard |
| 7.86058 | 0.172088 | standard |
| 7.8638 | 0.276844 | standard |
| 7.86698 | 0.186658 | standard |
| 7.87925 | 0.49911 | standard |
| 7.88236 | 0.312405 | standard |
| 7.89147 | 0.162409 | standard |
| 7.89482 | 0.240767 | standard |
| 7.89786 | 0.152192 | standard |
| 8.50989 | 0.833404 | standard |
| 8.5127 | 0.961633 | standard |
| 8.52081 | 1.00006 | standard |
| 8.52349 | 0.814823 | standard |
| -0.942724 | 1.125e-06 | standard |
| 7.44708 | 0.635941 | standard |
| 7.45635 | 0.747846 | standard |
| 7.45993 | 0.78545 | standard |
| 7.46912 | 0.677351 | standard |
| 7.86357 | 0.17054 | standard |
| 7.86628 | 0.275025 | standard |
| 7.86893 | 0.185615 | standard |
| 7.87663 | 0.319253 | standard |
| 7.87918 | 0.501404 | standard |
| 7.88181 | 0.315667 | standard |
| 7.88948 | 0.166914 | standard |
| 7.89214 | 0.245829 | standard |
| 7.89467 | 0.155011 | standard |
| 8.51099 | 0.836893 | standard |
| 8.51333 | 0.968203 | standard |
| 8.52007 | 1.00013 | standard |
| 8.5225 | 0.8085 | standard |
| 7.44864 | 0.643439 | standard |
| 7.45658 | 0.759017 | standard |
| 7.45972 | 0.784529 | standard |
| 7.46761 | 0.668295 | standard |
| 7.8658 | 0.169336 | standard |
| 7.86806 | 0.263166 | standard |
| 7.8704 | 0.181749 | standard |
| 7.87686 | 0.317548 | standard |
| 7.87916 | 0.504778 | standard |
| 7.88126 | 0.323994 | standard |
| 7.88796 | 0.170289 | standard |
| 7.89025 | 0.258786 | standard |
| 7.89241 | 0.158489 | standard |
| 8.51183 | 0.843818 | standard |
| 8.51384 | 0.971831 | standard |
| 8.51965 | 1.00058 | standard |
| 8.52167 | 0.821469 | standard |
| 7.44933 | 0.639468 | standard |
| 7.45668 | 0.74975 | standard |
| 7.45962 | 0.774047 | standard |
| 7.46693 | 0.665292 | standard |
| 7.86669 | 0.168116 | standard |
| 7.86875 | 0.259708 | standard |
| 7.87103 | 0.177332 | standard |
| 7.87711 | 0.319688 | standard |
| 7.8791 | 0.499081 | standard |
| 7.88123 | 0.316725 | standard |
| 7.88736 | 0.170113 | standard |
| 7.88946 | 0.257171 | standard |
| 8.51212 | 0.823744 | standard |
| 8.51405 | 0.954892 | standard |
| 8.51945 | 1.00062 | standard |
| 8.52122 | 0.812929 | standard |
| 7.44988 | 0.644853 | standard |
| 7.45684 | 0.761751 | standard |
| 7.45951 | 0.781873 | standard |
| 7.46644 | 0.672091 | standard |
| 7.86744 | 0.168489 | standard |
| 7.86945 | 0.264831 | standard |
| 7.87138 | 0.184346 | standard |
| 7.8772 | 0.325383 | standard |
| 7.87911 | 0.50719 | standard |
| 7.88101 | 0.325059 | standard |
| 7.88688 | 0.174637 | standard |
| 7.88876 | 0.261025 | standard |
| 7.89072 | 0.158977 | standard |
| 8.51241 | 0.831551 | standard |
| 8.51416 | 0.970125 | standard |
| 8.51924 | 1.0005 | standard |
| 8.52105 | 0.820309 | standard |
| 7.45081 | 0.643992 | standard |
| 7.45698 | 0.760759 | standard |
| 7.45937 | 0.783129 | standard |
| 7.4655 | 0.668881 | standard |
| 7.86872 | 0.168391 | standard |
| 7.87043 | 0.261026 | standard |
| 7.87236 | 0.177162 | standard |
| 7.87735 | 0.320564 | standard |
| 7.87908 | 0.502052 | standard |
| 7.88083 | 0.321302 | standard |
| 7.88592 | 0.172051 | standard |
| 7.88767 | 0.257978 | standard |
| 7.88951 | 0.155656 | standard |
| 8.51297 | 0.840763 | standard |
| 8.51446 | 0.96249 | standard |
| 8.51903 | 1.00014 | standard |
| 8.52056 | 0.813097 | standard |
| 7.45126 | 0.657307 | standard |
| 7.45703 | 0.76892 | standard |
| 7.45931 | 0.783491 | standard |
| 7.46511 | 0.668346 | standard |
| 7.86934 | 0.166427 | standard |
| 7.87093 | 0.264352 | standard |
| 7.87261 | 0.178632 | standard |
| 7.87746 | 0.325651 | standard |
| 7.87905 | 0.506937 | standard |
| 7.88077 | 0.322159 | standard |
| 7.88546 | 0.174432 | standard |
| 7.88729 | 0.262444 | standard |
| 7.88888 | 0.165928 | standard |
| 8.51313 | 0.849315 | standard |
| 8.51458 | 0.975615 | standard |
| 8.51884 | 1.0004 | standard |
| 8.52043 | 0.817298 | standard |
| 7.45154 | 0.655629 | standard |
| 7.45713 | 0.776114 | standard |
| 7.45925 | 0.777194 | standard |
| 7.46476 | 0.667103 | standard |
| 7.86982 | 0.167075 | standard |
| 7.87133 | 0.265088 | standard |
| 7.87292 | 0.179167 | standard |
| 7.87755 | 0.326742 | standard |
| 7.87905 | 0.508109 | standard |
| 7.88068 | 0.323178 | standard |
| 7.88517 | 0.176838 | standard |
| 7.88684 | 0.262542 | standard |
| 7.88844 | 0.164205 | standard |
| 8.51333 | 0.84926 | standard |
| 8.51469 | 0.986536 | standard |
| 8.51874 | 1.0004 | standard |
| 8.52025 | 0.812724 | standard |
| 7.45218 | 0.648307 | standard |
| 7.45724 | 0.760628 | standard |
| 7.45916 | 0.781541 | standard |
| 7.46418 | 0.648235 | standard |
| 7.87054 | 0.161816 | standard |
| 7.87203 | 0.261982 | standard |
| 7.87341 | 0.178939 | standard |
| 7.87765 | 0.323751 | standard |
| 7.87906 | 0.505418 | standard |
| 7.88047 | 0.323742 | standard |
| 7.88471 | 0.178939 | standard |
| 7.88609 | 0.261982 | standard |
| 7.88757 | 0.161816 | standard |
| 8.51358 | 0.833438 | standard |
| 8.5149 | 0.962456 | standard |
| 8.51863 | 1.00034 | standard |
| 7.45311 | 0.654809 | standard |
| 7.45737 | 0.777315 | standard |
| 7.45899 | 0.759939 | standard |
| 7.46325 | 0.656773 | standard |
| 7.87193 | 0.166115 | standard |
| 7.87311 | 0.264742 | standard |
| 7.87436 | 0.178946 | standard |
| 7.87779 | 0.323749 | standard |
| 7.87904 | 0.51197 | standard |
| 7.88016 | 0.327152 | standard |
| 7.88376 | 0.178091 | standard |
| 7.885 | 0.264361 | standard |
| 7.88618 | 0.165904 | standard |
| 8.51405 | 0.831853 | standard |
| 8.51512 | 0.983242 | standard |
| 8.51834 | 1.0004 | standard |
| 8.51936 | 0.820953 | standard |