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4,4,5,5,6,6,6-Heptafluoro-1-phenylhexane-1,3-dione

View entire compound with spectra: 1 FTIR

4,4,5,5,6,6,6-Heptafluoro-1-phenylhexane-1,3-dione
SpectraBase Compound ID JM0zbG911xG
InChI InChI=1S/C12H7F7O2/c13-10(14,11(15,16)12(17,18)19)9(21)6-8(20)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey HNYZQPXURIQQJV-UHFFFAOYSA-N
Mol Weight 316.17 g/mol
Molecular Formula C12H7F7O2
Exact Mass 316.033427 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2WpF5njcon5
Name 4,4,5,5,6,6,6-Heptafluoro-1-phenylhexane-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.033426604 u
Formula C12H7F7O2
InChI InChI=1S/C12H7F7O2/c13-10(14,11(15,16)12(17,18)19)9(21)6-8(20)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey HNYZQPXURIQQJV-UHFFFAOYSA-N
Molecular Weight 316.175 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(CC(C1=CC=CC=C1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950484