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2-(Z-1,5-DIMETHYL-6-OXO-4-HEXENYL)-5-METHYL-PARA-BENZOQUINONE
SpectraBase Compound ID 7COWGRzEonG
InChI InChI=1S/C15H18O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5,7-9,11H,4,6H2,1-3H3/b10-5+/t11-/m1/s1
InChIKey RBVBEULSUHQTPE-IGLBNKAOSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hNnH6lKEyK
Name 2-(Z-1,5-DIMETHYL-6-OXO-4-HEXENYL)-5-METHYL-PARA-BENZOQUINONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5,7-9,11H,4,6H2,1-3H3/b10-5+/t11-/m1/s1
InChIKey RBVBEULSUHQTPE-IGLBNKAOSA-N
Literature Reference Author V.G.MENDOZA,E.G.GARCIA
Literature Reference Citation J.NAT.PROD.,56,2073(1993)
Literature Reference DOI 10.1021/np50102a007
Molecular Weight 246.306 g/mol
Solvent CDCl3
Source File Reference UWCS17847