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4-(Isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
SpectraBase Compound ID LZNs5lSKXw6
InChI InChI=1S/C9H12O4S3/c1-5(2)16(12,13)7-4-6(8(10)11)15-9(7)14-3/h4-5H,1-3H3,(H,10,11)
InChIKey OATXOBSLQGHDOW-UHFFFAOYSA-N
Mol Weight 280.37 g/mol
Molecular Formula C9H12O4S3
Exact Mass 279.989772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2dvEbgp9sp
Name 4-(Isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
Alternate Name(s) 4-(Isopropylsulfonyl)-5-(methylsulfanyl)-2-thiophenecarboxylic acid 4-isopropylsulfonyl-5-(methylthio)-2-thenoic acid 4-isopropylsulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid 5-(methylthio)-4-propan-2-ylsulfonyl-2-thiophenecarboxylic acid 5-Methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylic acid
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Formula C9H12O4S3
InChI InChI=1S/C9H12O4S3/c1-5(2)16(12,13)7-4-6(8(10)11)15-9(7)14-3/h4-5H,1-3H3,(H,10,11)
InChIKey OATXOBSLQGHDOW-UHFFFAOYSA-N
Molecular Weight 280.371 g/mol
SMILES OC(c1cc(S(=O)(=O)C(C)C)c(s1)SC)=O
SPLASH splash10-001u-7790000000-e0a457c09495d1304923
Source of Spectrum AD-0-2532-0
Wiley ID 1427241