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PENTAFLUOROBENZOIC_ACID-METHYLESTER
SpectraBase Compound ID 5ksI2ZooRK6
InChI InChI=1S/C8H3F5O2/c1-15-8(14)2-3(9)5(11)7(13)6(12)4(2)10/h1H3
InChIKey UXJRQNXHCZKHRJ-UHFFFAOYSA-N
Mol Weight 226.1 g/mol
Molecular Formula C8H3F5O2
Exact Mass 226.00532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58u0P8bgCqP
Name Methyl 2,3,4,5,6-pentafluorobenzoate
CAS Registry Number 36629-42-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3F5O2
InChI InChI=1S/C8H3F5O2/c1-15-8(14)2-3(9)5(11)7(13)6(12)4(2)10/h1H3
InChIKey UXJRQNXHCZKHRJ-UHFFFAOYSA-N
Molecular Weight 226.102 g/mol
SMILES c1(c(c(c(c(c1F)F)C(=O)OC)F)F)F
SPLASH splash10-014j-2900000000-0ec115c8372641d3d0ae
Source of Spectrum F-54-13864-30
Synonyms 2,3,4,5,6-pentafluorobenzoic acid methyl ester Methyl 2,3,4,5,6-pentakis(fluoranyl)benzoate Methyl pentafluorobenzoate Pentafluorobenzoic acid, methyl ester
Wiley ID 809525