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CHAMPANONE_B;2,2,4-TRIMETHYL-6-(1-OXO-3-PHENYL-2-(E)-ENYL)-CYCLOHEXANE-1,3,5-TRIONE
SpectraBase Compound ID CdhG078pbCA
InChI InChI=1S/C18H18O4/c1-11-15(20)14(17(22)18(2,3)16(11)21)13(19)10-9-12-7-5-4-6-8-12/h4-10,19,21H,1-3H3/b10-9+,14-13-
InChIKey RIVKYPJYACDDOD-OMRPVRGDSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GHkhyk0sffG
Name CHAMPANONE_B;2,2,4-TRIMETHYL-6-(1-OXO-3-PHENYL-2-(E)-ENYL)-CYCLOHEXANE-1,3,5-TRIONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-11-15(20)14(17(22)18(2,3)16(11)21)13(19)10-9-12-7-5-4-6-8-12/h4-10,19,21H,1-3H3/b10-9+,14-13-
InChIKey RIVKYPJYACDDOD-OMRPVRGDSA-N
Literature Reference Author A.BONILLA,C.DUQUE,C.GARZON,Y.TAKAISHI,K.YAMAGUCHI,N.HARA,Y.F UJIMOTO
Literature Reference Citation PHYTOCHEM.,66,1736(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.05.025
Molecular Weight 298.339 g/mol
Sample ID 26590
Solvent CDCl3