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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 55dwVkzDaDv
Name 3-METHYL-1-THIOMETHYL-3-CYCLOHEXENE-1-CARBOXYLIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author J.L.BOUCHER,L.STELLA
Literature Reference Citation TETRAHEDRON,42,3871(1986)
Literature Reference DOI 10.1016/S0040-4020(01)87541-4
Molecular Weight 186.269 g/mol
Solvent CDCl3
Source File Reference UWGB27