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3-Methyl-1-thiomethyl-3-cyclohexene-1-carboxylic-acid

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3-Methyl-1-thiomethyl-3-cyclohexene-1-carboxylic-acid
SpectraBase Compound ID AA94vgswdUC
InChI InChI=1S/C9H14O2S/c1-7-4-3-5-9(6-7,12-2)8(10)11/h4H,3,5-6H2,1-2H3,(H,10,11)
InChIKey MOZPIDBDGCLBMF-UHFFFAOYSA-N
Mol Weight 186.27 g/mol
Molecular Formula C9H14O2S
Exact Mass 186.071451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTsGlOXNgsH
Name 3-Methyl-1-thiomethyl-3-cyclohexene-1-carboxylic-acid
CAS Registry Number 109240-15-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H14O2S
InChI InChI=1S/C9H14O2S/c1-7-4-3-5-9(6-7,12-2)8(10)11/h4H,3,5-6H2,1-2H3,(H,10,11)
InChIKey MOZPIDBDGCLBMF-UHFFFAOYSA-N
Instrument Name SF = 200 MHz
Literature Reference Tetrahedron 42, 3871 (1986).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3