1,3,5-Trimethyl-1H-pyrazol-4-amine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02585 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H11N3/c1-4-6(7)5(2)9(3)8-4/h7H2,1-3H3 | |
| Note 1 | 11,12,13?13,14,15?16,17,18 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1,3,5-Trimethyl-1H-pyrazol-4-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 | 17 | 18 | |
|---|---|---|---|---|---|---|---|---|---|
| 10 | 2.134 | -14.0 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 11 | 0 | 2.134 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 12 | 0 | 0 | 2.134 | 0 | 0 | 0 | 0 | 0 | 0 |
| 13 | 0 | 0 | 0 | 2.086 | -14.0 | -14.0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 0 | 0 | 2.086 | -14.0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 0 | 2.086 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 0 | 0 | 0 | 3.612 | -14.0 | -14.0 |
| 17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.612 | -14.0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.612 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.08598 | 1.0 | standard |
| 2.13409 | 0.999472 | standard |
| 3.61236 | 0.998722 | standard |
| 2.08847 | 0.999039 | standard |
| 2.13161 | 1.0 | standard |
| 3.61236 | 0.818106 | standard |
| 2.08655 | 1.0 | standard |
| 2.13351 | 0.99953 | standard |
| 3.61236 | 0.901983 | standard |
| 2.08617 | 0.999934 | standard |
| 2.13389 | 1.0 | standard |
| 3.61236 | 0.938423 | standard |
| 2.0861 | 0.998336 | standard |
| 2.13396 | 1.0 | standard |
| 3.61236 | 0.951236 | standard |
| 2.08606 | 0.999591 | standard |
| 2.134 | 1.0 | standard |
| 3.61236 | 0.960054 | standard |
| 2.08599 | 0.99926 | standard |
| 2.13408 | 1.0 | standard |
| 3.61236 | 0.989008 | standard |
| 2.08598 | 0.999487 | standard |
| 2.13408 | 1.0 | standard |
| 3.61236 | 0.994305 | standard |
| 2.08598 | 0.999262 | standard |
| 2.13409 | 1.0 | standard |
| 3.61236 | 0.996006 | standard |
| 2.08598 | 0.999148 | standard |
| 2.13409 | 1.0 | standard |
| 3.61236 | 0.997317 | standard |
| 2.08598 | 0.999418 | standard |
| 2.13409 | 1.0 | standard |
| 3.61236 | 0.998075 | standard |
| 2.08598 | 1.0 | standard |
| 2.13409 | 0.999443 | standard |
| 3.61236 | 0.998485 | standard |
| 2.08598 | 0.999465 | standard |
| 2.13409 | 1.0 | standard |
| 3.61236 | 0.998619 | standard |
| 2.08598 | 1.0 | standard |
| 2.13409 | 0.99946 | standard |
| 3.61236 | 0.999149 | standard |
| 2.08598 | 0.999578 | standard |
| 2.13409 | 0.999801 | standard |
| 3.61236 | 1.0 | standard |
| 2.08598 | 0.998214 | standard |
| 2.13409 | 1.0 | standard |
| 3.61236 | 0.998276 | standard |
| 2.08598 | 1.0 | standard |
| 2.13409 | 0.999524 | standard |
| 3.61236 | 0.999228 | standard |
| 2.08598 | 0.999091 | standard |
| 2.13409 | 1.0 | standard |
| 3.61236 | 0.999444 | standard |