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2-Methyl-3-thenoic acid
SpectraBase Compound ID CYvPhMkLRKa
InChI InChI=1S/C6H6O2S/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)
InChIKey YJZOPBSZDIBXBG-UHFFFAOYSA-N
Mol Weight 142.17 g/mol
Molecular Formula C6H6O2S
Exact Mass 142.008851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AkrQeGAZV1F
Name 2-Methyl-3-thenoic acid
CAS Registry Number 1918-78-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6O2S
InChI InChI=1S/C6H6O2S/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)
InChIKey YJZOPBSZDIBXBG-UHFFFAOYSA-N
Molecular Weight 142.172 g/mol
SMILES OC(c1c(scc1)C)=O
SPLASH splash10-0007-4900000000-cc36a2e091de6d58c5eb
Source of Spectrum KC-1983-794-0
Synonyms 2-Methyl-3-thiophenecarboxylic acid 2-Methylthiophene-3-carboxylic acid
Wiley ID 1140601