3-Methyl-5-(trifluoromethyl)-1H-pyrazole
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02521 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3-Methyl-5-(trifluoromethyl)-1H-pyrazole | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 11 | 12 | 13 | 14 | |
|---|---|---|---|---|
| 11 | 2.34 | -14.0 | -14.0 | 0 |
| 12 | 0 | 2.34 | -14.0 | 0 |
| 13 | 0 | 0 | 2.34 | 0 |
| 14 | 0 | 0 | 0 | 6.492 |
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 |
|---|---|---|
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.333151 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.333339 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.330694 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.332813 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.332674 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.333285 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.33415 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.330784 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.333333 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.33332 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.333186 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.333241 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.33332 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.334076 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.332901 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.330353 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.33333 | standard |
| 2.3399 | 1.0 | standard |
| 6.49174 | 0.333328 | standard |