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3-Bromo-4-methyl-benzoic acid
SpectraBase Compound ID KfUtvezYqdd
InChI InChI=1S/C8H7BrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey ZFJOMUKPDWNRFI-UHFFFAOYSA-N
Mol Weight 215.05 g/mol
Molecular Formula C8H7BrO2
Exact Mass 213.962942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gpPf6ZycLa
Name 3-Bromo-4-methylbenzoic acid
CAS Registry Number 7697-26-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7BrO2
InChI InChI=1S/C8H7BrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey ZFJOMUKPDWNRFI-UHFFFAOYSA-N
Molecular Weight 215.046 g/mol
SMILES OC(=O)c1cc(c(C)cc1)Br
SPLASH splash10-03y0-7590000000-73eb406fe889d36d9e2b
Source of Spectrum W5-1989-33035-32501
Synonyms 3-Bromanyl-4-methyl-benzoic acid Benzoic acid, 3-bromo-4-methyl- EINECS 231-712-1
Wiley ID 1212984