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3R-(4-Tolylthio)-cyclohexanone 2R,3R-butanediol acetal
SpectraBase Compound ID 9n8HP5XSA9D
InChI InChI=1S/C17H24O2S/c1-12-6-8-15(9-7-12)20-16-5-4-10-17(11-16)18-13(2)14(3)19-17/h6-9,13-14,16H,4-5,10-11H2,1-3H3
InChIKey PEUHMOMIOSUSMH-UHFFFAOYSA-N
Mol Weight 292.44 g/mol
Molecular Formula C17H24O2S
Exact Mass 292.149701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A1mIAYWdfXH
Name 3R-(4-Tolylthio)-cyclohexanone 2R,3R-butanediol acetal
Comments FROM R.HELDER, TETRAHEDRON LETT.25,2181(1977)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H24O2S
InChI InChI=1S/C17H24O2S/c1-12-6-8-15(9-7-12)20-16-5-4-10-17(11-16)18-13(2)14(3)19-17/h6-9,13-14,16H,4-5,10-11H2,1-3H3
InChIKey PEUHMOMIOSUSMH-UHFFFAOYSA-N
Literature Reference J.J. Lemiere, R.A. Domisse, J.A. Lepoivre, J. Am. Chem. Soc. 109, 1363 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported