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2-[(2-carboxyphenyl)thio]benzoic acid
SpectraBase Compound ID AoTyXVpfQN3
InChI InChI=1S/C14H10O4S/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey BDUPKZTWQYDOGC-UHFFFAOYSA-N
Mol Weight 274.29 g/mol
Molecular Formula C14H10O4S
Exact Mass 274.02998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBab7AxCF5m
Name 2-[(2-carboxyphenyl)thio]benzoic acid
CAS Registry Number 22219-02-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10O4S
InChI InChI=1S/C14H10O4S/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey BDUPKZTWQYDOGC-UHFFFAOYSA-N
Molecular Weight 274.290 g/mol
SMILES OC(c1c(Sc2c(C(=O)O)cccc2)cccc1)=O
SPLASH splash10-000i-0900000000-15188ad83f3db1517346
Source of Spectrum IC-776-0-0
Synonyms Benzoic acid, thio-2,2'-di
Wiley ID 1277895