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3-Methyl-2-(phenylthiomethyl)-cyclohex-2-en-1-one

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3-Methyl-2-(phenylthiomethyl)-cyclohex-2-en-1-one
SpectraBase Compound ID CY3649InakZ
InChI InChI=1S/C14H16OS/c1-11-6-5-9-14(15)13(11)10-16-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey YMBBXSCYXMVXCL-UHFFFAOYSA-N
Mol Weight 232.34 g/mol
Molecular Formula C14H16OS
Exact Mass 232.092186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DxOOXFKqqvh
Name 3-Methyl-2-(phenylthiomethyl)-cyclohex-2-en-1-one
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H16OS
InChI InChI=1S/C14H16OS/c1-11-6-5-9-14(15)13(11)10-16-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey YMBBXSCYXMVXCL-UHFFFAOYSA-N
Literature Reference R. Tamura, H. Katayama, K. Watabe, Tetrahedron 46, 7557 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3