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3-Ethylphenol, o-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

3-Ethylphenol, o-heptafluorobutyryl-
SpectraBase Compound ID HDvAA7mFkE1
InChI InChI=1S/C12H9F7O2/c1-2-7-4-3-5-8(6-7)21-9(20)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3
InChIKey GQMIHPWXWPVYRJ-UHFFFAOYSA-N
Mol Weight 318.19 g/mol
Molecular Formula C12H9F7O2
Exact Mass 318.049077 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 92jA0pyMLSe
Name 3-Ethylphenol, o-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.049076669 u
Formula C12H9F7O2
InChI InChI=1S/C12H9F7O2/c1-2-7-4-3-5-8(6-7)21-9(20)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3
InChIKey GQMIHPWXWPVYRJ-UHFFFAOYSA-N
Molecular Weight 318.191 g/mol
SMILES C1=C(C=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881743