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(1R*,4S*,7AR*)-1-acetoxy-4,7a-dimethyl-1,4,5,6,7,7a-hexahydro-2H-inden-2-one
SpectraBase Compound ID CnnTCfbdehy
InChI InChI=1S/C13H18O3/c1-8-5-4-6-13(3)10(8)7-11(15)12(13)16-9(2)14/h7-8,12H,4-6H2,1-3H3
InChIKey ZVDGKIZAEHUICQ-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DrlnoaR7vk6
Name (1R*,4S*,7AR*)-1-acetoxy-4,7a-dimethyl-1,4,5,6,7,7a-hexahydro-2H-inden-2-one
Comments JEOL FX-100 OR GX-400 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-8-5-4-6-13(3)10(8)7-11(15)12(13)16-9(2)14/h7-8,12H,4-6H2,1-3H3
InChIKey ZVDGKIZAEHUICQ-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference T. Tokoroyama, Y. Kotsuji, H. Matsuyama, J. Chem. Soc. Perkin I 1745 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3