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1,3-Dimethyl-3-hydroxy-bicyclo(2.2.2)octa-5,7-dien-2-one-8-carboxylic acid, ethyl ester
SpectraBase Compound ID DQDZjozG3WE
InChI InChI=1S/C13H16O4/c1-4-17-10(14)8-7-12(2)6-5-9(8)13(3,16)11(12)15/h5-7,9,16H,4H2,1-3H3
InChIKey UKCCHZSFAZZVFD-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Re71P74OQK
Name 1,3-Dimethyl-3-hydroxy-bicyclo(2.2.2)octa-5,7-dien-2-one-8-carboxylic acid, ethyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-4-17-10(14)8-7-12(2)6-5-9(8)13(3,16)11(12)15/h5-7,9,16H,4H2,1-3H3
InChIKey UKCCHZSFAZZVFD-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference G.E. Langford, H. Auksi, J.A. Gosbee, Tetrahedron 37, 1091 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3