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(1S,4S,5R)-2,2,5-Trimethyl-bicyclo(2.2.2)oct-7-ene-3,6-dione

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(1S,4S,5R)-2,2,5-Trimethyl-bicyclo(2.2.2)oct-7-ene-3,6-dione
SpectraBase Compound ID LBwd5egLax4
InChI InChI=1S/C11H14O2/c1-6-7-4-5-8(9(6)12)11(2,3)10(7)13/h4-8H,1-3H3/t6-,7+,8-/m0/s1
InChIKey SJTLYTBFDVRTBH-RNJXMRFFSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5eYWczwvUOf
Name (1S,4S,5R)-2,2,5-Trimethyl-bicyclo(2.2.2)oct-7-ene-3,6-dione
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-6-7-4-5-8(9(6)12)11(2,3)10(7)13/h4-8H,1-3H3/t6-,7+,8-/m0/s1
InChIKey SJTLYTBFDVRTBH-RNJXMRFFSA-N
Instrument Name Bruker WP-80
Literature Reference M. Demuth, P. Ritterskamp, E. Weigt, J. Am. Chem. Soc. 108, 4149 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3