| SpectraBase Spectrum ID |
BTrH8Yrxkf6 |
| Name |
(E)-3-Phenyl-5-(thiophen-2-yl)-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrazole |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.059504025 u |
| Formula |
C16H11F3N2S |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C16H11F3N2S/c17-16(18,19)8-9-21-14(15-7-4-10-22-15)11-13(20-21)12-5-2-1-3-6-12/h1-11H/b9-8+ |
| InChIKey |
HGMIIQHBPXGWHB-CMDGGOBGSA-N |
| Instrument Name |
Agilent 6890N-Agilent 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/chem.202102840 |
| Molecular Weight |
320.333 g/mol |
| Quality |
342 |
| Reported Formula |
C16H11N2SF3 |
| SMILES |
C=1(N(N=C(C1)C1=CC=CC=C1)\C=C\C(F)(F)F)C1=CC=CS1 |
| SPLASH |
splash10-0g29-9512000000-29f1d9852e6f367b9f63 |
| Source of Spectrum |
QE-27-SM28-18a (DOI: 10.1002/chem.202102840) |
| Wiley ID |
1904221 |
