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5-(carboxymethylsulfanylmethyl)furan-2-carboxylic acid
SpectraBase Compound ID 6SgSTaEBhJ7
InChI InChI=1S/C8H8O5S/c9-7(10)4-14-3-5-1-2-6(13-5)8(11)12/h1-2H,3-4H2,(H,9,10)(H,11,12)
InChIKey UDBZYJKNBFOHTQ-UHFFFAOYSA-N
Mol Weight 216.21 g/mol
Molecular Formula C8H8O5S
Exact Mass 216.009245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrgfhNqKgQF
Name 5-(carboxymethylsulfanylmethyl)furan-2-carboxylic acid
Alternate Name(s) 5-([(Carboxymethyl)sulfanyl]methyl)-2-furoic acid 5-[(carboxymethylthio)methyl]-2-furancarboxylic acid 5-[(carboxymethylthio)methyl]-2-furoic acid Furan-2-carboxylic acid, 5-carboxymethylthiomethyl-
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Formula C8H8O5S
InChI InChI=1S/C8H8O5S/c9-7(10)4-14-3-5-1-2-6(13-5)8(11)12/h1-2H,3-4H2,(H,9,10)(H,11,12)
InChIKey UDBZYJKNBFOHTQ-UHFFFAOYSA-N
Molecular Weight 216.207 g/mol
SMILES OC(CSCc1oc(C(=O)O)cc1)=O
SPLASH splash10-0f92-9300000000-bcf296561b906328d2b6
Wiley ID 1439206