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2,3,4,5,6-Pentafluorobenzyl octanoate
SpectraBase Compound ID JfHtDIiExXI
InChI InChI=1S/C15H17F5O2/c1-2-3-4-5-6-7-10(21)22-8-9-11(16)13(18)15(20)14(19)12(9)17/h2-8H2,1H3
InChIKey HGHDCSVNNUJOIL-UHFFFAOYSA-N
Mol Weight 324.29 g/mol
Molecular Formula C15H17F5O2
Exact Mass 324.114871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIC48DDB349
Name 2,3,4,5,6-Pentafluorobenzyl octanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17F5O2
InChI InChI=1S/C15H17F5O2/c1-2-3-4-5-6-7-10(21)22-8-9-11(16)13(18)15(20)14(19)12(9)17/h2-8H2,1H3
InChIKey HGHDCSVNNUJOIL-UHFFFAOYSA-N
Molecular Weight 324.291 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)COC(=O)CCCCCCC
SPLASH splash10-053u-9500000000-aa326b776c64834dd409
Source of Spectrum GA-1981-0-0
Synonyms (2,3,4,5,6-pentafluorophenyl)methyl octanoate caprylic acid (2,3,4,5,6-pentafluorobenzyl) ester Octanoic acid (2,3,4,5,6-pentafluorophenyl)methyl ester [2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl octanoate
Wiley ID 1322934