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1-(3,4-Difluorophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
SpectraBase Compound ID 2aWh3qk6tK6
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
Mol Weight 262.23 g/mol
Molecular Formula C15H9F3O
Exact Mass 262.060549 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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