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4-Mercaptobenzoic acid dimer

View entire compound with spectra: 2 FTIR, 1 Raman, and 3 MS (GC)

4-Mercaptobenzoic acid dimer
SpectraBase Compound ID Fbg5Y8fhvxq
InChI InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)
InChIKey LMJXSOYPAOSIPZ-UHFFFAOYSA-N
Mol Weight 154.18 g/mol
Molecular Formula C7H6O2S
Exact Mass 154.008851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aq9mg6hmMhO
Name 4-Sulfanylbenzoic acid
CAS Registry Number 1074-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6O2S
InChI InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)
InChIKey LMJXSOYPAOSIPZ-UHFFFAOYSA-N
Molecular Weight 154.183 g/mol
SMILES Sc1ccc(C(=O)O)cc1
SPLASH splash10-0udr-4900000000-0a21bc46b30e363caa52
Synonyms 4-Carboxybenzenethiol 4-Mercapto-benzoic acid 4-Mercaptobenzoate Benzoic acid, 4-mercapto- Benzoic acid, p-mercapto- p-Mercaptobenzoic acid Para-mercaptobenzoate NSC 32022
Wiley ID 1483390