Pyrazine-2-carbonitrile
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.05951 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H | |
| Note 1 | 9?10?11 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Pyrazine-2-carbonitrile | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 9 | 10 | 11 | |
|---|---|---|---|
| 9 | 8.899 | 1.26 | 0 |
| 10 | 0 | 9.068 | 0 |
| 11 | 0 | 0 | 8.825 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
Help
To zoom into a region, draw a box around it.Hover over the x/y-axis and use mouse-wheel to zoom in/out.
Hover over the x/y-axis hold down left-button to move around the spectra.
(De)activate a spectrum by clicking on its legend.
| PPM | Amplitude | Peak Type |
|---|---|---|
| 8.8248 | 1.0 | standard |
| 8.89886 | 0.721953 | standard |
| 8.89981 | 0.721942 | standard |
| 9.06718 | 0.721496 | standard |
| 9.06813 | 0.721494 | standard |
| 8.82574 | 1.0 | standard |
| 8.90832 | 0.774415 | standard |
| 9.05711 | 0.712495 | standard |
| 8.82499 | 1.0 | standard |
| 8.90557 | 0.756535 | standard |
| 9.06099 | 0.722687 | standard |
| 8.82486 | 1.00001 | standard |
| 8.90396 | 0.746082 | standard |
| 9.0629 | 0.726868 | standard |
| 8.82484 | 1.00001 | standard |
| 8.90342 | 0.743189 | standard |
| 9.06346 | 0.726207 | standard |
| 8.82482 | 1.00001 | standard |
| 8.90304 | 0.740147 | standard |
| 9.06387 | 0.726112 | standard |
| 8.8248 | 1.0 | standard |
| 8.90114 | 0.72582 | standard |
| 9.06585 | 0.721997 | standard |
| 8.8248 | 1.0 | standard |
| 8.90039 | 0.727237 | standard |
| 9.06644 | 0.718131 | standard |
| 9.06855 | 0.708324 | standard |
| 8.8248 | 1.0 | standard |
| 8.8985 | 0.716966 | standard |
| 8.90008 | 0.716923 | standard |
| 9.06702 | 0.726691 | standard |
| 9.06829 | 0.726686 | standard |
| 8.8248 | 1.0 | standard |
| 8.8988 | 0.72479 | standard |
| 8.89987 | 0.724771 | standard |
| 9.06712 | 0.72413 | standard |
| 9.06819 | 0.724128 | standard |
| 8.8248 | 1.0 | standard |
| 8.89886 | 0.721959 | standard |
| 8.89981 | 0.721948 | standard |
| 9.06718 | 0.721502 | standard |
| 9.06813 | 0.7215 | standard |
| 8.8248 | 1.0 | standard |
| 8.8988 | 0.704218 | standard |
| 8.89987 | 0.704208 | standard |
| 9.06721 | 0.721576 | standard |
| 9.06801 | 0.721576 | standard |
| 8.8248 | 1.0 | standard |
| 8.89893 | 0.717969 | standard |
| 8.89975 | 0.717963 | standard |
| 9.06725 | 0.717676 | standard |
| 9.06806 | 0.717676 | standard |
| 8.8248 | 1.0 | standard |
| 8.89913 | 0.739005 | standard |
| 8.89955 | 0.739001 | standard |
| 9.06722 | 0.716353 | standard |
| 9.06799 | 0.716353 | standard |
| 8.8248 | 1.0 | standard |
| 8.8989 | 0.699478 | standard |
| 8.89978 | 0.699473 | standard |
| 9.0673 | 0.721621 | standard |
| 9.06791 | 0.72162 | standard |
| 8.8248 | 1.0 | standard |
| 8.89909 | 0.728729 | standard |
| 8.89958 | 0.728727 | standard |
| 9.06741 | 0.728548 | standard |
| 9.0679 | 0.728547 | standard |
| 8.8248 | 1.0 | standard |
| 8.899 | 0.711487 | standard |
| 8.89967 | 0.711484 | standard |
| 9.06732 | 0.711323 | standard |
| 9.06799 | 0.711323 | standard |
| 8.8248 | 1.0 | standard |
| 8.89934 | 0.748232 | standard |
| 9.06735 | 0.711584 | standard |
| 9.06786 | 0.711584 | standard |