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Thiophene-2-carboxylic acid, 4-isopropylsulfonyl-5-methylsulfinyl-, methyl ester
SpectraBase Compound ID AUEBrCbIiFf
InChI InChI=1S/C10H14O5S3/c1-6(2)18(13,14)8-5-7(9(11)15-3)16-10(8)17(4)12/h5-6H,1-4H3
InChIKey JZJQELXYTPSLTE-UHFFFAOYSA-N
Mol Weight 310.4 g/mol
Molecular Formula C10H14O5S3
Exact Mass 310.000337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNOcAlE230B
Name Thiophene-2-carboxylic acid, 4-isopropylsulfonyl-5-methylsulfinyl-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O5S3
InChI InChI=1S/C10H14O5S3/c1-6(2)18(13,14)8-5-7(9(11)15-3)16-10(8)17(4)12/h5-6H,1-4H3
InChIKey JZJQELXYTPSLTE-UHFFFAOYSA-N
Molecular Weight 310.397 g/mol
SMILES c1(c(sc(c1)C(OC)=O)S(C)=O)S(C(C)C)(=O)=O
SPLASH splash10-0006-9520000000-471ddaa1406642e1d1fe
Source of Spectrum AD-0-2532-0
Synonyms 4-isopropylsulfonyl-5-methylsulfinyl-thiophene-2-carboxylic acid methyl ester 5-Methylsulfinyl-4-propan-2-ylsulfonyl-2-thiophenecarboxylic acid methyl ester Methyl 4-(isopropylsulfonyl)-5-(methylsulfinyl)-2-thiophenecarboxylate Methyl 4-isopropylsulfonyl-5-methylsulfinyl-thiophene-2-carboxylate Methyl 5-methylsulfinyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylate
Wiley ID 1426291