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1,3-Dimethyl-3-hydroxy-bicyclo(2.2.2)octa-5,7-dien-2-one-8-carboxylic acid, methyl ester
SpectraBase Compound ID DNWlFN5iqvk
InChI InChI=1S/C12H14O4/c1-11-5-4-8(12(2,15)10(11)14)7(6-11)9(13)16-3/h4-6,8,15H,1-3H3
InChIKey HMPPHBPRFSKWLN-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GisGoZ0P33d
Name 1,3-Dimethyl-3-hydroxy-bicyclo(2.2.2)octa-5,7-dien-2-one-8-carboxylic acid, methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-11-5-4-8(12(2,15)10(11)14)7(6-11)9(13)16-3/h4-6,8,15H,1-3H3
InChIKey HMPPHBPRFSKWLN-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