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2-Mercaptobenzene-1,3-dicarboxylic acid
SpectraBase Compound ID 2NyYbeW79Sv
InChI InChI=1S/C8H6O4S/c9-7(10)4-2-1-3-5(6(4)13)8(11)12/h1-3,13H,(H,9,10)(H,11,12)
InChIKey QRKINFKUIIOUTP-UHFFFAOYSA-N
Mol Weight 198.19 g/mol
Molecular Formula C8H6O4S
Exact Mass 197.99868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qeZUTRG9JL
Name 2-Mercaptobenzene-1,3-dicarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6O4S
InChI InChI=1S/C8H6O4S/c9-7(10)4-2-1-3-5(6(4)13)8(11)12/h1-3,13H,(H,9,10)(H,11,12)
InChIKey QRKINFKUIIOUTP-UHFFFAOYSA-N
Molecular Weight 198.192 g/mol
SMILES OC(c1c(c(ccc1)C(=O)O)S)=O
SPLASH splash10-001i-0900000000-e87bd049c38e41df7f21
Source of Spectrum K-111-1692-0
Synonyms 2-Mercaptoisophthalic acid 2-sulfanylbenzene-1,3-dicarboxylic acid
Wiley ID 1194896