Aminopyrazine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01909 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Aminopyrazine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 8 | 9 | 10 | |
|---|---|---|---|
| 8 | 7.962 | 3.011 | 1.585 |
| 9 | 0 | 7.823 | 0 |
| 10 | 0 | 0 | 8.012 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.82019 | 0.78861 | standard |
| 7.82515 | 0.836457 | standard |
| 7.95877 | 0.543368 | standard |
| 7.9611 | 0.655447 | standard |
| 7.96316 | 0.61949 | standard |
| 7.96556 | 0.548354 | standard |
| 8.01063 | 1.00037 | standard |
| 8.01261 | 0.951081 | standard |
| 7.79177 | 0.301977 | standard |
| 7.84995 | 0.605694 | standard |
| 7.95003 | 0.671944 | standard |
| 8.00683 | 1.0 | standard |
| 7.79678 | 0.348388 | standard |
| 7.84143 | 0.584648 | standard |
| 7.95217 | 0.545138 | standard |
| 8.00183 | 1.0 | standard |
| 7.80301 | 0.458337 | standard |
| 7.83799 | 0.691891 | standard |
| 7.95416 | 0.600363 | standard |
| 8.00324 | 1.0 | standard |
| 7.80522 | 0.508971 | standard |
| 7.8367 | 0.737822 | standard |
| 7.95495 | 0.62648 | standard |
| 8.00466 | 1.0 | standard |
| 7.80699 | 0.545233 | standard |
| 7.83557 | 0.771465 | standard |
| 7.95555 | 0.644798 | standard |
| 7.98638 | 0.640279 | standard |
| 8.00553 | 1.0 | standard |
| 7.81503 | 0.700227 | standard |
| 7.82969 | 0.8336 | standard |
| 7.95884 | 0.666798 | standard |
| 7.97293 | 0.536715 | standard |
| 8.00853 | 1.00003 | standard |
| 8.01424 | 0.8551 | standard |
| 7.81768 | 0.749885 | standard |
| 7.82749 | 0.842938 | standard |
| 7.95992 | 0.666375 | standard |
| 7.96382 | 0.590383 | standard |
| 7.96919 | 0.539866 | standard |
| 8.00955 | 1.00009 | standard |
| 8.01367 | 0.899497 | standard |
| 7.81894 | 0.769437 | standard |
| 7.82632 | 0.840212 | standard |
| 7.95722 | 0.5446 | standard |
| 7.96051 | 0.660701 | standard |
| 7.96354 | 0.602392 | standard |
| 7.96743 | 0.539561 | standard |
| 8.01008 | 1.0 | standard |
| 8.0131 | 0.925735 | standard |
| 7.81971 | 0.786202 | standard |
| 7.82564 | 0.843665 | standard |
| 7.95812 | 0.548958 | standard |
| 7.96079 | 0.661039 | standard |
| 7.96328 | 0.613106 | standard |
| 7.96632 | 0.544346 | standard |
| 8.01036 | 1.00006 | standard |
| 8.01285 | 0.938773 | standard |
| 7.82019 | 0.788607 | standard |
| 7.82515 | 0.836454 | standard |
| 7.95877 | 0.543371 | standard |
| 7.9611 | 0.655449 | standard |
| 7.96316 | 0.619492 | standard |
| 7.96556 | 0.548356 | standard |
| 8.01063 | 1.00037 | standard |
| 8.01261 | 0.951081 | standard |
| 7.82059 | 0.800743 | standard |
| 7.82476 | 0.841939 | standard |
| 7.95941 | 0.56009 | standard |
| 7.96115 | 0.659482 | standard |
| 7.963 | 0.619679 | standard |
| 7.96514 | 0.54433 | standard |
| 8.01075 | 1.00021 | standard |
| 8.01247 | 0.958131 | standard |
| 7.82078 | 0.816089 | standard |
| 7.82466 | 0.855161 | standard |
| 7.95951 | 0.563601 | standard |
| 7.96127 | 0.671199 | standard |
| 7.96287 | 0.634625 | standard |
| 7.96498 | 0.548782 | standard |
| 8.01076 | 1.00008 | standard |
| 8.01253 | 0.956986 | standard |
| 7.82088 | 0.807997 | standard |
| 7.82457 | 0.844403 | standard |
| 7.95965 | 0.553479 | standard |
| 7.96137 | 0.660848 | standard |
| 7.96292 | 0.630561 | standard |
| 7.96477 | 0.550264 | standard |
| 8.01086 | 1.00005 | standard |
| 8.01243 | 0.961416 | standard |
| 7.82107 | 0.815017 | standard |
| 7.82437 | 0.847665 | standard |
| 7.9599 | 0.554253 | standard |
| 7.96147 | 0.663818 | standard |
| 7.96286 | 0.642517 | standard |
| 7.96436 | 0.565421 | standard |
| 8.01094 | 1.00054 | standard |
| 8.01236 | 0.965475 | standard |
| 7.82117 | 0.817006 | standard |
| 7.82428 | 0.847902 | standard |
| 7.95998 | 0.554827 | standard |
| 7.96147 | 0.663703 | standard |
| 7.96273 | 0.638431 | standard |
| 7.96432 | 0.552453 | standard |
| 8.01093 | 1.00082 | standard |
| 8.01227 | 0.967724 | standard |
| 7.82126 | 0.817924 | standard |
| 7.82418 | 0.84713 | standard |
| 7.96007 | 0.553572 | standard |
| 7.96144 | 0.652843 | standard |
| 7.96278 | 0.627369 | standard |
| 7.96423 | 0.550962 | standard |
| 8.01103 | 1.00103 | standard |
| 8.01228 | 0.970011 | standard |
| 7.82155 | 0.82224 | standard |
| 7.82389 | 0.822242 | standard |
| 7.96063 | 0.55267 | standard |
| 7.96165 | 0.654899 | standard |
| 7.9626 | 0.646292 | standard |
| 7.96366 | 0.563909 | standard |
| 8.0112 | 1.00087 | standard |
| 8.01212 | 0.977909 | standard |