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Pentafluorobenzoic acid
SpectraBase Compound ID 8bAA6M0Qj8L
InChI InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChIKey YZERDTREOUSUHF-UHFFFAOYSA-N
Mol Weight 212.08 g/mol
Molecular Formula C7HF5O2
Exact Mass 211.98967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Q9SgCJ4Ea
Name Benzoic acid, pentafluoro-
CAS Registry Number 602-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7HF5O2
InChI InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChIKey YZERDTREOUSUHF-UHFFFAOYSA-N
Molecular Weight 212.075 g/mol
SMILES OC(=O)c1c(F)c(F)c(F)c(c1F)F
SPLASH splash10-00kb-9300000000-cb721583bf255bf8864c
Source of Spectrum O-4-11-25
Synonyms 2,3,4,5,6-Pentafluorobenzoic acid 2,3,4,5,6-pentakis(fluoranyl)benzoic acid Perfluorobenzoic acid Pentafluorobenzoic acid BRN 2054395 EINECS 210-026-6 NSC 88337
Wiley ID 26387