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3-(4-Bromophenyl)-1-(pentafluorophenyl)prop-2-en-1-one

View entire compound with spectra: 1 NMR, and 1 FTIR

3-(4-Bromophenyl)-1-(pentafluorophenyl)prop-2-en-1-one
SpectraBase Compound ID IoMepD0v9a3
InChI InChI=1S/C15H6BrF5O/c16-8-4-1-7(2-5-8)3-6-9(22)10-11(17)13(19)15(21)14(20)12(10)18/h1-6H/b6-3-
InChIKey PYQQNPLRWSDRQJ-UTCJRWHESA-N
Mol Weight 377.11 g/mol
Molecular Formula C15H6BrF5O
Exact Mass 375.952219 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IAEVcJUMNCG
Name 3-(4-Bromophenyl)-1-(pentafluorophenyl)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 375.952218627 u
Formula C15H6BrF5O
InChI InChI=1S/C15H6BrF5O/c16-8-4-1-7(2-5-8)3-6-9(22)10-11(17)13(19)15(21)14(20)12(10)18/h1-6H/b6-3-
InChIKey PYQQNPLRWSDRQJ-UTCJRWHESA-N
Molecular Weight 377.108 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)C(\C=C/C1=CC=C(C=C1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85824