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1-[3,5-bis(Trifluoromethyl)phenyl]-2-bromoethanone

View entire compound with spectra: 1 FTIR

1-[3,5-bis(Trifluoromethyl)phenyl]-2-bromoethanone
SpectraBase Compound ID 1wxbFwHFrWX
InChI InChI=1S/C10H5BrF6O/c11-4-8(18)5-1-6(9(12,13)14)3-7(2-5)10(15,16)17/h1-3H,4H2
InChIKey ZEKBFXJTIAEUOF-UHFFFAOYSA-N
Mol Weight 335.04 g/mol
Molecular Formula C10H5BrF6O
Exact Mass 333.942797 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dy4rilsAel8
Name 1-[3,5-bis(Trifluoromethyl)phenyl]-2-bromoethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.942796758 u
Formula C10H5BrF6O
InChI InChI=1S/C10H5BrF6O/c11-4-8(18)5-1-6(9(12,13)14)3-7(2-5)10(15,16)17/h1-3H,4H2
InChIKey ZEKBFXJTIAEUOF-UHFFFAOYSA-N
Molecular Weight 335.043 g/mol
SMILES C(CBr)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958963