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5-METHYL-2-[(2'E,6'E)-3',7',11'-TRIMETHYL-2',6'-DODECADIEN-9'-ONYL]-BENZO-1,4-QUINONE
SpectraBase Compound ID LvQzf62LLnP
InChI InChI=1S/C22H30O3/c1-15(2)11-20(23)12-17(4)8-6-7-16(3)9-10-19-14-21(24)18(5)13-22(19)25/h8-9,13-15H,6-7,10-12H2,1-5H3/b16-9+,17-8+
InChIKey QJFVGCOOBWZFDL-AAZCYQLISA-N
Mol Weight 342.48 g/mol
Molecular Formula C22H30O3
Exact Mass 342.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCNthL78GaV
Name 5-METHYL-2-[(2'E,6'E)-3',7',11'-TRIMETHYL-2',6'-DODECADIEN-9'-ONYL]-BENZO-1,4-QUINONE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O3
InChI InChI=1S/C22H30O3/c1-15(2)11-20(23)12-17(4)8-6-7-16(3)9-10-19-14-21(24)18(5)13-22(19)25/h8-9,13-15H,6-7,10-12H2,1-5H3/b16-9+,17-8+
InChIKey QJFVGCOOBWZFDL-AAZCYQLISA-N
Literature Reference Author K.L.MCPHAIL,M.T.DAVIES-COLEMAN,J.STARMER
Literature Reference Citation J.NAT.PROD.,64,1183(2001)
Literature Reference DOI 10.1021/np010085x
Molecular Weight 342.478 g/mol
Solvent CDCl3
Source File Reference UWSI1913