| SpectraBase Spectrum ID |
Fw2vZjWM5XP |
| Name |
5-phenyl-3-(2-thienyl)-1-[(E)-3,3,3-trifluoroprop-1-enyl]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(12-5-2-1-3-6-12)11-13(20-21)15-7-4-10-22-15/h1-11H/b9-8+ |
| InChIKey |
XLZWHVQRNVVIPN-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 |
229 |
| Reported Formula |
C16H11N2SF3 |
| SMILES |
C1(=NN(C(=C1)C1=CC=CC=C1)\C=C\C(F)(F)F)C1=CC=CS1 |
| SPLASH |
splash10-01b9-9625000000-2d2d22e8f27512373c5b |
| Source of Spectrum |
QE-27-SM28-18b (DOI: 10.1002/chem.202102840) |
| Wiley ID |
1904222 |
![5-phenyl-3-(2-thienyl)-1-[(E)-3,3,3-trifluoroprop-1-enyl]pyrazole](/api/spectrum/Fw2vZjWM5XP/structure.png?h=300&w=458 "5-phenyl-3-(2-thienyl)-1-[(E)-3,3,3-trifluoroprop-1-enyl]pyrazole")
