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2,2,3,3,4,4,4-Heptafluoro-1-(4-methoxyphenyl)-1-butanone

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2,2,3,3,4,4,4-Heptafluoro-1-(4-methoxyphenyl)-1-butanone
SpectraBase Compound ID FLh2WJtpc85
InChI InChI=1S/C11H7F7O2/c1-20-7-4-2-6(3-5-7)8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3
InChIKey HKZZKJHRHPACDM-UHFFFAOYSA-N
Mol Weight 304.16 g/mol
Molecular Formula C11H7F7O2
Exact Mass 304.033427 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kt2rwzd8fLw
Name 2,2,3,3,4,4,4-Heptafluoro-1-(4-methoxyphenyl)-1-butanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.033426604 u
Formula C11H7F7O2
InChI InChI=1S/C11H7F7O2/c1-20-7-4-2-6(3-5-7)8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3
InChIKey HKZZKJHRHPACDM-UHFFFAOYSA-N
Molecular Weight 304.164 g/mol
SMILES C(=O)(C(C(C(F)(F)F)(F)F)(F)F)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949347