5-Methyl-2-(trifluoromethyl)-3-furamide
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01289 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H6F3NO2/c1-3-2-4(6(11)12)5(13-3)7(8,9)10/h2H,1H3,(H2,11,12) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 5-Methyl-2-(trifluoromethyl)-3-furamide | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 14 | 15 | 16 | 17 | |
|---|---|---|---|---|
| 14 | 2.342 | -14.0 | -14.0 | 0 |
| 15 | 0 | 2.342 | -14.0 | 0 |
| 16 | 0 | 0 | 2.342 | 0 |
| 17 | 0 | 0 | 0 | 6.435 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.330464 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.332143 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.334105 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.333273 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.333338 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.333337 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.331961 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.333334 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.333334 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.332783 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.329892 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.333333 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.333333 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.332744 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.33256 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.33305 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.330721 | standard |
| 2.34238 | 1.0 | standard |
| 6.4354 | 0.332242 | standard |