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4-Chlorobenzoic acid, pentafluorophenyl ester
SpectraBase Compound ID aVhzCg5zJN
InChI InChI=1S/C13H4ClF5O2/c14-6-3-1-5(2-4-6)13(20)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H
InChIKey GFJBFALXBFFZPC-UHFFFAOYSA-N
Mol Weight 322.62 g/mol
Molecular Formula C13H4ClF5O2
Exact Mass 321.981998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAKpnrJQAwi
Name 4-Chlorobenzoic acid, pentafluorophenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H4ClF5O2
InChI InChI=1S/C13H4ClF5O2/c14-6-3-1-5(2-4-6)13(20)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H
InChIKey GFJBFALXBFFZPC-UHFFFAOYSA-N
Molecular Weight 322.618 g/mol
SMILES c1(ccc(cc1)Cl)C(Oc1c(c(c(c(F)c1F)F)F)F)=O
SPLASH splash10-000i-0900000000-eafd73038d3002ba57eb
Source of Spectrum J-77-8347-3cc
Synonyms 2,3,4,5,6-Pentafluorophenyl 4-Cholrobenzoate Perfluorophenyl 4-chlorobenzoate (2,3,4,5,6-pentafluorophenyl) 4-chlorobenzoate [2,3,4,5,6-pentakis(fluoranyl)phenyl] 4-chloranylbenzoate
Wiley ID 1745234