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2-[2-(carboxymethylsulfanyl)phenyl]sulfanylacetic acid
SpectraBase Compound ID 139AK3egHht
InChI InChI=1S/C10H10O4S2/c11-9(12)5-15-7-3-1-2-4-8(7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey KAMHJRWJHWCVLC-UHFFFAOYSA-N
Mol Weight 258.31 g/mol
Molecular Formula C10H10O4S2
Exact Mass 258.002051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 811p8FOiXOc
Name 2-[2-(carboxymethylsulfanyl)phenyl]sulfanylacetic acid
Alternate Name(s) 2-[[2-(carboxymethylthio)phenyl]thio]acetic acid
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Formula C10H10O4S2
InChI InChI=1S/C10H10O4S2/c11-9(12)5-15-7-3-1-2-4-8(7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey KAMHJRWJHWCVLC-UHFFFAOYSA-N
Molecular Weight 258.306 g/mol
SMILES OC(CSc1c(SCC(=O)O)cccc1)=O
SPLASH splash10-0pba-0940000000-b08b13a5d1bd2c5195e3
Source of Spectrum F-55-14073-4
Wiley ID 840085