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2-[(2,6-diketo-4,4-dimethyl-cyclohexyl)-(2-methoxyphenyl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone
SpectraBase Compound ID BjUrI3YkyR9
InChI InChI=1S/C24H30O5/c1-23(2)10-15(25)21(16(26)11-23)20(14-8-6-7-9-19(14)29-5)22-17(27)12-24(3,4)13-18(22)28/h6-9,20-22H,10-13H2,1-5H3
InChIKey ZOJOUMOYHAANDO-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1dvcDNDJxjN
Name 2-[(2,6-diketo-4,4-dimethyl-cyclohexyl)-(2-methoxyphenyl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone
Compound Number III-C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-23(2)10-15(25)21(16(26)11-23)20(14-8-6-7-9-19(14)29-5)22-17(27)12-24(3,4)13-18(22)28/h6-9,20-22H,10-13H2,1-5H3
InChIKey ZOJOUMOYHAANDO-UHFFFAOYSA-N
Literature Reference Author A.N.PYRKO
Literature Reference Citation CHEM.HET.COMP.,32,635(1996)
Literature Reference DOI 10.1007/bf01164861
Molecular Weight 398.499 g/mol
Solvent CDCl3
Source File Reference UWMZ13861