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Perfluorooctanoic acid, phenyl ester
SpectraBase Compound ID DUoZyJ7uSsd
InChI InChI=1S/C14H5F15O2/c15-8(16,7(30)31-6-4-2-1-3-5-6)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h1-5H
InChIKey ILIMPYDCHUVMPM-UHFFFAOYSA-N
Mol Weight 490.17 g/mol
Molecular Formula C14H5F15O2
Exact Mass 490.005002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzzPVH78Jvv
Name Perfluorooctanoic acid, phenyl ester
Alternate Name(s) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorocaprylic acid phenyl ester 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid phenyl ester Phenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate phenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecakis(fluoranyl)octanoate
CAS Registry Number 289895-94-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H5F15O2
InChI InChI=1S/C14H5F15O2/c15-8(16,7(30)31-6-4-2-1-3-5-6)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h1-5H
InChIKey ILIMPYDCHUVMPM-UHFFFAOYSA-N
Molecular Weight 490.168 g/mol
SMILES C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)Oc1ccccc1
SPLASH splash10-016r-9300000000-ec5626848aed39773fb2
Source of Spectrum F-68-6893-3
Wiley ID 1573300