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5-(carboxymethylsulfanyl)thiophene-2-carboxylic acid
SpectraBase Compound ID 7TJwoWvYstK
InChI InChI=1S/C7H6O4S2/c8-5(9)3-12-6-2-1-4(13-6)7(10)11/h1-2H,3H2,(H,8,9)(H,10,11)
InChIKey LLADMOOUXUAJLS-UHFFFAOYSA-N
Mol Weight 218.24 g/mol
Molecular Formula C7H6O4S2
Exact Mass 217.970751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3PMlatf7Wq
Name 5-(carboxymethylsulfanyl)thiophene-2-carboxylic acid
Alternate Name(s) 5-(carboxymethylthio)-2-thenoic acid 5-(carboxymethylthio)-2-thiophenecarboxylic acid
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Formula C7H6O4S2
InChI InChI=1S/C7H6O4S2/c8-5(9)3-12-6-2-1-4(13-6)7(10)11/h1-2H,3H2,(H,8,9)(H,10,11)
InChIKey LLADMOOUXUAJLS-UHFFFAOYSA-N
Molecular Weight 218.241 g/mol
SMILES OC(CSc1ccc(C(=O)O)s1)=O
SPLASH splash10-0m0j-5900000000-69699d41f4ce6245285b
Source of Spectrum F4-0-3857-3
Wiley ID 1621050