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2,2-Difluoro-1-phenylhexane-1,5-dione

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

2,2-Difluoro-1-phenylhexane-1,5-dione
SpectraBase Compound ID 7SPpj8O0TQn
InChI InChI=1S/C12H12F2O2/c1-9(15)7-8-12(13,14)11(16)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey FVYHWWMYYAUALC-UHFFFAOYSA-N
Mol Weight 226.22 g/mol
Molecular Formula C12H12F2O2
Exact Mass 226.080536 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EroFJhCJw0T
Name 2,2-Difluoro-1-phenylhexane-1,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.080535950 u
Formula C12H12F2O2
InChI InChI=1S/C12H12F2O2/c1-9(15)7-8-12(13,14)11(16)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey FVYHWWMYYAUALC-UHFFFAOYSA-N
Molecular Weight 226.223 g/mol
SMILES C(C(CCC(C)=O)(F)F)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9051