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4-Acetylphenyl 2,2,3,3,4,4,4-heptafluorobutanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Acetylphenyl 2,2,3,3,4,4,4-heptafluorobutanoate
SpectraBase Compound ID KTfRH5qZ5Jn
InChI InChI=1S/C12H7F7O3/c1-6(20)7-2-4-8(5-3-7)22-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3
InChIKey WCXHFMAHANUZSK-UHFFFAOYSA-N
Mol Weight 332.17 g/mol
Molecular Formula C12H7F7O3
Exact Mass 332.028341 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AIz3b8WLSOd
Name 4-Acetylphenyl 2,2,3,3,4,4,4-heptafluorobutanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.028341223 u
Formula C12H7F7O3
InChI InChI=1S/C12H7F7O3/c1-6(20)7-2-4-8(5-3-7)22-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3
InChIKey WCXHFMAHANUZSK-UHFFFAOYSA-N
Molecular Weight 332.174 g/mol
SMILES C(OC1=CC=C(C=C1)C(C)=O)(C(C(F)(F)C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979637