SpectraBase Spectrum ID |
F09uxVEcZB5 |
Name |
1-(3,4-Difluorophenyl)-3-(4-fluorophenyl)prop-2-en-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
262.060549398 u |
Formula |
C15H9F3O |
InChI |
InChI=1S/C15H9F3O/c16-12-5-1-10(2-6-12)3-8-15(19)11-4-7-13(17)14(18)9-11/h1-9H/b8-3+ |
InChIKey |
FOTHQDQMXHPTOK-FPYGCLRLSA-N |
Molecular Weight |
262.231 g/mol |
SMILES |
C1(\C=C\C(C=2C=C(C(=CC2)F)F)=O)=CC=C(C=C1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936167 |