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1-(4-Bromo-2,6-difluorophenyl)ethanone
SpectraBase Compound ID 4jAkn49MdQQ
InChI InChI=1S/C8H5BrF2O/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-3H,1H3
InChIKey TUDMLHCSUOCGMM-UHFFFAOYSA-N
Mol Weight 235.03 g/mol
Molecular Formula C8H5BrF2O
Exact Mass 233.949184 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4g9NsesOrwL
Name 1-(4-Bromo-2,6-difluorophenyl)ethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.949184106 u
Formula C8H5BrF2O
InChI InChI=1S/C8H5BrF2O/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-3H,1H3
InChIKey TUDMLHCSUOCGMM-UHFFFAOYSA-N
Molecular Weight 235.028 g/mol
SMILES C1(F)=C(C(=CC(=C1)Br)F)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924157