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2-(5-Bromo-2-methylthiophen-3-yl)-acetic Acid
SpectraBase Compound ID 1mvj86ZAjjz
InChI InChI=1S/C7H7BrO2S/c1-4-5(3-7(9)10)2-6(8)11-4/h2H,3H2,1H3,(H,9,10)
InChIKey XXQURUSYXUFAMP-UHFFFAOYSA-N
Mol Weight 235.09 g/mol
Molecular Formula C7H7BrO2S
Exact Mass 233.935014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96qgWM8PDGv
Name 2-(5-Bromo-2-methylthiophen-3-yl)-acetic Acid
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.935013637 u
Formula C7H7BrO2S
InChI InChI=1S/C7H7BrO2S/c1-4-5(3-7(9)10)2-6(8)11-4/h2H,3H2,1H3,(H,9,10)
InChIKey XXQURUSYXUFAMP-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800101
Molecular Weight 235.095 g/mol
Quality 62
Reported Formula (12)C7(1)H7(79)Br(16)O2(32)S
SMILES OC(CC=1C=C(Br)SC1C)=O
SPLASH splash10-000l-0940000000-6c81555c73ff853eb9a8
Source of Spectrum K1-2018-2599-13 (DOI: 10.1002/ejoc.201800101)
Wiley ID 1894033