| SpectraBase Spectrum ID |
BQL8XvBTlOO |
| Name |
Ethyl (E)-2-(3,3,3-trifluoroprop-1-en-1-yl)-2H-indazole-3-carboxylate |
| Appearance |
White powder |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.077262089 u |
| Formula |
C13H11F3N2O2 |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C13H11F3N2O2/c1-2-20-12(19)11-9-5-3-4-6-10(9)17-18(11)8-7-13(14,15)16/h3-8H,2H2,1H3/b8-7+ |
| InChIKey |
YREXYUSHEOZMRR-BQYQJAHWSA-N |
| Instrument Name |
Agilent 6890N-Agilent 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/chem.202102840 |
| Molecular Weight |
284.238 g/mol |
| Quality |
359 |
| Reported Formula |
C13H11N2O2F3 |
| SMILES |
C(C)OC(=O)C=1N(N=C2C1C=CC=C2)\C=C\C(F)(F)F |
| SPLASH |
splash10-001u-2690000000-2323cd194417409cc767 |
| Source of Spectrum |
QE-27-SM37-30 (DOI: 10.1002/chem.202102840) |
| Thin-Layer Chromatography |
0.77 (hexanes/EtOAc, 4:1) |
| Wiley ID |
1904239 |
