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3R-Methoxycarbonyl-cyclohexanone 2R,3R-butanediol acetal
SpectraBase Compound ID H2I7Q4gVmCE
InChI InChI=1S/C12H20O4/c1-8-9(2)16-12(15-8)6-4-5-10(7-12)11(13)14-3/h8-10H,4-7H2,1-3H3
InChIKey WOXNAGYUDUKCSH-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Efya8qABZZ6
Name 3S-Methoxycarbonyl-cyclohexanone 2R,3R-butanediol acetal
Comments FROM J.J.WILLAERT,G.L.LEMIERE,J.CHEM.RES.,SYNOP.222(1985)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-8-9(2)16-12(15-8)6-4-5-10(7-12)11(13)14-3/h8-10H,4-7H2,1-3H3
InChIKey WOXNAGYUDUKCSH-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