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3,6-Dihydro-2,4,5-trimethyl-2H-thiine-2-carboxylic acid
SpectraBase Compound ID 8ZsFpZCnHjV
InChI InChI=1S/C9H14O2S/c1-6-4-9(3,8(10)11)12-5-7(6)2/h4-5H2,1-3H3,(H,10,11)
InChIKey IFDBCUDVMDNZAL-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 2lbnlO1sN3n
Name 3,6-Dihydro-2,4,5-trimethyl-2H-thiine-2-carboxylic acid
Comments 50.3 MHZ SPECTRUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H14O2S
InChI InChI=1S/C9H14O2S/c1-6-4-9(3,8(10)11)12-5-7(6)2/h4-5H2,1-3H3,(H,10,11)
InChIKey IFDBCUDVMDNZAL-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference G.W. Kirby, M.P. Mahajan, M.S.Rahman, J. Chem. Soc. Perkin I 2033 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3