| SpectraBase Spectrum ID |
DQZaNJUYd7q |
| Name |
(E)-2-(4-Fluorophenyl)-3-(phenylsulfonyl)-1,1,1-trifluorobut-2-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.049413450 u |
| Formula |
C16H12F4O2S |
| InChI |
InChI=1S/C16H12F4O2S/c1-11(23(21,22)14-5-3-2-4-6-14)15(16(18,19)20)12-7-9-13(17)10-8-12/h2-10H,1H3/b15-11+ |
| InChIKey |
WUCLJSARGGFZDJ-RVDMUPIBSA-N |
| Molecular Weight |
344.324 g/mol |
| SMILES |
C(\C(=C/(S(=O)(=O)C1=CC=CC=C1)C)C=1C=CC(=CC1)F)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910068 |
