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1,3-Dimethyl-3-hydroxy-bicyclo(2.2.2)octa-5,7-dien-2-one-7-carboxylic acid

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1,3-Dimethyl-3-hydroxy-bicyclo(2.2.2)octa-5,7-dien-2-one-7-carboxylic acid
SpectraBase Compound ID EvjyuHB2Efv
InChI InChI=1S/C11H12O4/c1-10-4-3-6(5-7(10)8(12)13)11(2,15)9(10)14/h3-6,15H,1-2H3,(H,12,13)
InChIKey SGAIKCMMQZXTAN-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CV3kQAqoaw
Name 1,3-Dimethyl-3-hydroxy-bicyclo(2.2.2)octa-5,7-dien-2-one-7-carboxylic acid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-10-4-3-6(5-7(10)8(12)13)11(2,15)9(10)14/h3-6,15H,1-2H3,(H,12,13)
InChIKey SGAIKCMMQZXTAN-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 CD3OD