[5-Methyl-2-(trifluoromethyl)-3-furyl]methylamine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02812 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H8F3NO/c1-4-2-5(3-11)6(12-4)7(8,9)10/h2H,3,11H2,1H3 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| [5-Methyl-2-(trifluoromethyl)-3-furyl]methylamine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 13 | 14 | 15 | 16 | 17 | 18 | |
|---|---|---|---|---|---|---|
| 13 | 2.33 | -14.0 | -14.0 | 0 | 0 | 0 |
| 14 | 0 | 2.33 | -14.0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 2.33 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 6.325 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 4.154 | -14.0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 4.154 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666461 | standard |
| 6.3254 | 0.333231 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666786 | standard |
| 6.3254 | 0.332832 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666716 | standard |
| 6.3254 | 0.333351 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666697 | standard |
| 6.3254 | 0.333344 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666657 | standard |
| 6.3254 | 0.333325 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666682 | standard |
| 6.3254 | 0.333339 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666671 | standard |
| 6.3254 | 0.333335 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666669 | standard |
| 6.3254 | 0.332637 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666383 | standard |
| 6.3254 | 0.333191 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666667 | standard |
| 6.3254 | 0.332547 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.665885 | standard |
| 6.3254 | 0.333112 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666667 | standard |
| 6.3254 | 0.333333 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666659 | standard |
| 6.3254 | 0.333329 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666609 | standard |
| 6.3254 | 0.333289 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666871 | standard |
| 6.3254 | 0.333435 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666667 | standard |
| 6.3254 | 0.333333 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666416 | standard |
| 6.3254 | 0.333246 | standard |
| 2.33018 | 1.0 | standard |
| 4.15421 | 0.666667 | standard |
| 6.3254 | 0.333333 | standard |