3,5-Dimethylpyrazin-2-amine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02818 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H9N3/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3,(H2,7,8) | |
| Note 1 | 10,11,12?13,14,15 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3,5-Dimethylpyrazin-2-amine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 10 | 11 | 12 | 13 | 14 | 15 | 16 | |
|---|---|---|---|---|---|---|---|
| 10 | 2.353 | -14.0 | -14.0 | 0 | 0 | 0 | 0 |
| 11 | 0 | 2.353 | -14.0 | 0 | 0 | 0 | 0 |
| 12 | 0 | 0 | 2.353 | 0 | 0 | 0 | 0 |
| 13 | 0 | 0 | 0 | 2.322 | -14.0 | -14.0 | 0 |
| 14 | 0 | 0 | 0 | 0 | 2.322 | -14.0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 0 | 2.322 | 0 |
| 16 | 0 | 0 | 0 | 0 | 0 | 0 | 7.739 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.32194 | 1.0 | standard |
| 2.35289 | 0.999611 | standard |
| 7.73851 | 0.332365 | standard |
| 2.33065 | 1.0 | standard |
| 2.34413 | 0.999813 | standard |
| 7.73851 | 0.22904 | standard |
| 2.32376 | 0.999988 | standard |
| 2.35108 | 1.0 | standard |
| 7.73851 | 0.268982 | standard |
| 2.32259 | 0.999869 | standard |
| 2.35225 | 1.00001 | standard |
| 7.73851 | 0.291373 | standard |
| 2.32236 | 0.999646 | standard |
| 2.35247 | 1.0 | standard |
| 7.73851 | 0.296872 | standard |
| 2.32223 | 0.998787 | standard |
| 2.35261 | 1.0 | standard |
| 7.73851 | 0.302924 | standard |
| 2.32196 | 0.99852 | standard |
| 2.35287 | 1.00002 | standard |
| 7.73851 | 0.324218 | standard |
| 2.32195 | 0.999898 | standard |
| 2.35289 | 1.0 | standard |
| 7.73851 | 0.328064 | standard |
| 2.32195 | 0.998202 | standard |
| 2.35289 | 1.0 | standard |
| 7.73851 | 0.329724 | standard |
| 2.32194 | 1.0 | standard |
| 2.35289 | 0.999871 | standard |
| 7.73851 | 0.331605 | standard |
| 2.32194 | 1.0 | standard |
| 2.35289 | 0.999159 | standard |
| 7.73851 | 0.331324 | standard |
| 2.32194 | 0.999018 | standard |
| 2.35289 | 1.0 | standard |
| 7.73851 | 0.330296 | standard |
| 2.32194 | 1.0 | standard |
| 2.35289 | 0.999842 | standard |
| 7.73851 | 0.331517 | standard |
| 2.32194 | 0.99847 | standard |
| 2.35289 | 1.0 | standard |
| 7.73851 | 0.330886 | standard |
| 2.32194 | 0.999349 | standard |
| 2.35289 | 1.0 | standard |
| 7.73851 | 0.331776 | standard |
| 2.32194 | 0.999826 | standard |
| 2.35289 | 1.0 | standard |
| 7.73851 | 0.331562 | standard |
| 2.32194 | 0.999144 | standard |
| 2.35289 | 1.0 | standard |
| 7.73851 | 0.332509 | standard |
| 2.32194 | 0.998164 | standard |
| 2.35289 | 1.0 | standard |
| 7.73851 | 0.332179 | standard |