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3-Methyl-2-thiophenecarboxylic acid
SpectraBase Compound ID BqecTuH4xI9
InChI InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey IFLKEBSJTZGCJG-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 5OuLdBj69tE
Name 2-THIOPHENECARBOXYLIC ACID, 3-METHYL-
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 142.008850605 u
Formula C6H6O2S
InChI InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey IFLKEBSJTZGCJG-UHFFFAOYSA-N
Molecular Weight 142.172 g/mol
Nominal Mass 142 u
Number of Peaks 66
SMILES c1(C)ccsc1C(O)=O
SPLASH splash10-0005-9700000000-2a1e6951df0674d19dbe
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000845