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3-Methyl-6-(1-methylthio-ethylidene)-cyclohex-2-enone
SpectraBase Compound ID DHoGvHYmVOP
InChI InChI=1S/C10H14OS/c1-7-4-5-9(8(2)12-3)10(11)6-7/h6H,4-5H2,1-3H3/b9-8+
InChIKey YWMZTUBSFVZRNP-CMDGGOBGSA-N
Mol Weight 182.28 g/mol
Molecular Formula C10H14OS
Exact Mass 182.076536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IgT1iWhvGaO
Name 3-Methyl-6-(1-methylthio-ethylidene)-cyclohex-2-enone
CAS Registry Number 96899-18-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H14OS
InChI InChI=1S/C10H14OS/c1-7-4-5-9(8(2)12-3)10(11)6-7/h6H,4-5H2,1-3H3/b9-8+
InChIKey YWMZTUBSFVZRNP-CMDGGOBGSA-N
Instrument Name Jeol FX-90
Literature Reference R.K. Dieter, L.A. Silks, J.R. Fishpaugh, J. Am. Chem. Soc. 107, 4679 (1985).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3