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3-Bromo-4-chloro-5-methylbenzenesulfonic acid
SpectraBase Compound ID 5SuVjhl8P78
InChI InChI=1S/C7H6BrClO3S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3H,1H3,(H,10,11,12)
InChIKey YIDNIUHMQKAVSJ-UHFFFAOYSA-N
Mol Weight 285.54 g/mol
Molecular Formula C7H6BrClO3S
Exact Mass 283.890956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48ZyXfyGNU
Name 3-Bromo-4-chloro-5-methylbenzenesulfonic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6BrClO3S
InChI InChI=1S/C7H6BrClO3S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3H,1H3,(H,10,11,12)
InChIKey YIDNIUHMQKAVSJ-UHFFFAOYSA-N
Molecular Weight 285.539 g/mol
SMILES OS(c1cc(c(c(c1)Br)Cl)C)(=O)=O
SPLASH splash10-000i-9450000000-dfc0bea0e5f3b55c582d
Source of Spectrum IY-1-4238-1
Synonyms 3-Bromo-4-chloro-5-methyl-benzenesulfonic acid 3-Bromanyl-4-chloranyl-5-methyl-benzenesulfonic acid
Wiley ID 1650385