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4-Bromo-4,4-difluoro-2-phenylbutanoic acid

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Bromo-4,4-difluoro-2-phenylbutanoic acid
SpectraBase Compound ID mTZ42uxBP3
InChI InChI=1S/C10H9BrF2O2/c11-10(12,13)6-8(9(14)15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,15)
InChIKey XYFYOZKYJSXIQI-UHFFFAOYSA-N
Mol Weight 279.08 g/mol
Molecular Formula C10H9BrF2O2
Exact Mass 277.975399 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5MsAkOpBSqP
Name 4-Bromo-4,4-difluoro-2-phenylbutanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.975398854 u
Formula C10H9BrF2O2
InChI InChI=1S/C10H9BrF2O2/c11-10(12,13)6-8(9(14)15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,15)
InChIKey XYFYOZKYJSXIQI-UHFFFAOYSA-N
Molecular Weight 279.081 g/mol
SMILES C(O)(=O)C(C1=CC=CC=C1)CC(Br)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937507