| SpectraBase Spectrum ID |
GWQMxi28I1d |
| Name |
(E)-3,5-Bis(2-bromophenyl)-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrazole |
| Appearance |
Colorless oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.924108851 u |
| Formula |
C18H11Br2F3N2 |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C18H11Br2F3N2/c19-14-7-3-1-5-12(14)16-11-17(13-6-2-4-8-15(13)20)25(24-16)10-9-18(21,22)23/h1-11H/b10-9+ |
| InChIKey |
OXFZPBHVBWUSCG-MDZDMXLPSA-N |
| Instrument Name |
Agilent 6890N-Agilent 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/chem.202102840 |
| Molecular Weight |
472.103 g/mol |
| Quality |
416 |
| Reported Formula |
C18H11N2Br2F3 |
| SMILES |
C1(=CC=CC=C1Br)C1=CC(=NN1\C=C\C(F)(F)F)C1=C(C=CC=C1)Br |
| SPLASH |
splash10-006x-3849200000-417849441134c327d49d |
| Source of Spectrum |
QE-27-SM23-11 (DOI: 10.1002/chem.202102840) |
| Thin-Layer Chromatography |
0.65 (hexanes/EtOAc, 4:1) |
| Wiley ID |
1904215 |
