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(2R,RS)-2-P-Tolylsulfinyl-cyclohexanone
SpectraBase Compound ID 1Nw9zq1EO5v
InChI InChI=1S/C13H16O2S/c1-10-6-8-11(9-7-10)16(15)13-5-3-2-4-12(13)14/h6-9,13H,2-5H2,1H3
InChIKey KVGRBFQZGQWCFQ-UHFFFAOYSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zitYW8F3XK
Name (2S,RS)-2-P-Tolylsulfinyl-cyclohexanone
CAS Registry Number 56146-64-6
Comments from mixture of epimers
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-10-6-8-11(9-7-10)16(15)13-5-3-2-4-12(13)14/h6-9,13H,2-5H2,1H3
InChIKey KVGRBFQZGQWCFQ-UHFFFAOYSA-N
Instrument Name Bruker WP-200
Literature Reference M.C. Carreno, J.L. Ruano, C. Pedregal, J. Chem. Soc. Perkin I 1335 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3