| SpectraBase Spectrum ID |
CRDsz2faJRI |
| Name |
Ethyl 2,5-dimethyl-4-(3'-(trifluoromethyl)phenyl)-1H-pyrrole-3-carboxylate |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.113313246 u |
| Formula |
C16H16F3NO2 |
| GC Oven Program |
Oven temp 300oC or 320oC |
| InChI |
InChI=1S/C16H16F3NO2/c1-4-22-15(21)14-10(3)20-9(2)13(14)11-6-5-7-12(8-11)16(17,18)19/h5-8,20H,4H2,1-3H3 |
| InChIKey |
UREVGHBLEGBZAL-UHFFFAOYSA-N |
| Inlet Type |
Split |
| Instrument Name |
Varian CP-3800-Saturn 2000 or Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201810555 |
| Molecular Weight |
311.304 g/mol |
| Quality |
19 |
| Reported Formula |
C16H16F3NO2 |
| SMILES |
N1C(=C(C(=C1C)C(=O)OCC)C1=CC(=CC=C1)C(F)(F)F)C |
| SPLASH |
splash10-03e9-0096000000-9d535992b5b4831f313b |
| Source of Spectrum |
ACI-57-SM9-8a (DOI: 10.1002/anie.201810555) |
| Wiley ID |
1893659 |
