| SpectraBase Spectrum ID |
B0QLeC3blit |
| Name |
Ethyl (E)-3-(trifluoromethyl)-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrazole-4-carboxylate |
| Appearance |
White solid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.048996482 u |
| Formula |
C10H8F6N2O2 |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C10H8F6N2O2/c1-2-20-8(19)6-5-18(4-3-9(11,12)13)17-7(6)10(14,15)16/h3-5H,2H2,1H3/b4-3+ |
| InChIKey |
CRBAFAZZXWISIP-ONEGZZNKSA-N |
| Instrument Name |
Agilent 6890N-Agilent 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/chem.202102840 |
| Molecular Weight |
302.176 g/mol |
| Quality |
311 |
| Reported Formula |
C10H8N2O2F6 |
| SMILES |
C(C)OC(=O)C=1C(=NN(C1)\C=C\C(F)(F)F)C(F)(F)F |
| SPLASH |
splash10-0a4i-0090000000-32d6580ce52fd42ccf59 |
| Source of Spectrum |
QE-27-SM26-15 (DOI: 10.1002/chem.202102840) |
| Thin-Layer Chromatography |
0.54 (hexanes/EtOAc, 4:1) |
| Wiley ID |
1904219 |
