| SpectraBase Spectrum ID |
If607pNTfan |
| Name |
(E)-3-Phenyl-5-(trifluoromethyl)-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrazole |
| Appearance |
White solid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.059167244 u |
| Formula |
C13H8F6N2 |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C13H8F6N2/c14-12(15,16)6-7-21-11(13(17,18)19)8-10(20-21)9-4-2-1-3-5-9/h1-8H/b7-6+ |
| InChIKey |
IJKZFEKOEODVOX-VOTSOKGWSA-N |
| Instrument Name |
Agilent 6890N-Agilent 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/chem.202102840 |
| Molecular Weight |
306.211 g/mol |
| Quality |
304 |
| Reported Formula |
C13H8N2F6 |
| SMILES |
C1(=CC=CC=C1)C1=NN(C(=C1)C(F)(F)F)\C=C\C(F)(F)F |
| SPLASH |
splash10-0aor-4179000000-a4f28a5121e9fdd74efb |
| Source of Spectrum |
QE-27-SM31-20 (DOI: 10.1002/chem.202102840) |
| Thin-Layer Chromatography |
0.68 (hexanes/EtOAc, 10:1) |
| Wiley ID |
1904225 |
