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2,3,4,5,6-Pentabromobenzoic acid
SpectraBase Compound ID 4zPibmfwsZ
InChI InChI=1S/C7HBr5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChIKey DWSGWKLIVYONLK-UHFFFAOYSA-N
Mol Weight 516.6 g/mol
Molecular Formula C7HBr5O2
Exact Mass 511.589344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZWpJKh9jOr
Name 2,3,4,5,6-Pentabromobenzoic acid
CAS Registry Number 22230-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7HBr5O2
InChI InChI=1S/C7HBr5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChIKey DWSGWKLIVYONLK-UHFFFAOYSA-N
Molecular Weight 516.603 g/mol
SMILES OC(c1c(c(Br)c(c(c1Br)Br)Br)Br)=O
SPLASH splash10-014i-0020490000-8ee0abd7e7bee274aac0
Source of Spectrum B-29-633-0
Synonyms 2,3,4,5,6-pentakis(bromanyl)benzoic acid Pentabromobenzoic acid
Wiley ID 1400684