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2-Mesyl-5-methyl-3-thenoic acid
SpectraBase Compound ID 6XDzyo2U84p
InChI InChI=1S/C7H8O4S2/c1-4-3-5(6(8)9)7(12-4)13(2,10)11/h3H,1-2H3,(H,8,9)
InChIKey DSGQILVAIIURPV-UHFFFAOYSA-N
Mol Weight 220.26 g/mol
Molecular Formula C7H8O4S2
Exact Mass 219.986401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yd44ozzywg
Name 2-Mesyl-5-methyl-3-thenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8O4S2
InChI InChI=1S/C7H8O4S2/c1-4-3-5(6(8)9)7(12-4)13(2,10)11/h3H,1-2H3,(H,8,9)
InChIKey DSGQILVAIIURPV-UHFFFAOYSA-N
Molecular Weight 220.257 g/mol
SMILES OC(c1c(S(=O)(=O)C)sc(C)c1)=O
SPLASH splash10-08mi-4940000000-75bf7c7ed0ab01d66ed1
Synonyms 5-Methyl-2-methylsulfonyl-3-thiophenecarboxylic acid 5-Methyl-2-methylsulfonyl-thiophene-3-carboxylic acid
Wiley ID 1450797