| SpectraBase Spectrum ID |
84pRH90Pbzw |
| Name |
(E)-4-Bromo-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 |
239.950995626 u |
| Formula |
C6H4BrF3N2 |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C6H4BrF3N2/c7-5-3-11-12(4-5)2-1-6(8,9)10/h1-4H/b2-1+ |
| InChIKey |
CXINVIAXZQBBAD-OWOJBTEDSA-N |
| Instrument Name |
Agilent 6890N-Agilent 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/chem.202102840 |
| Molecular Weight |
241.011 g/mol |
| Quality |
527 |
| Reported Formula |
C6H4N2BrF3 |
| SMILES |
C=1(Br)C=NN(C1)\C=C\C(F)(F)F |
| SPLASH |
splash10-0006-3390000000-70ac6988fadcc36add8e |
| Source of Spectrum |
QE-27-SM19-4 (DOI: 10.1002/chem.202102840) |
| Thin-Layer Chromatography |
0.75 (hexanes/EtOAc, 4:1) |
| Wiley ID |
1904256 |
