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2-(1,5-DIMETHYL-4-HEXENYL)-3-HYDROXY-5-METHYL-6-[(4'-METHOXYPHENYL)-AMINE]-1,4-BENZOQUINONE
SpectraBase Compound ID 3N4QAd9pcpZ
InChI InChI=1S/C22H27NO4/c1-13(2)7-6-8-14(3)18-21(25)19(15(4)20(24)22(18)26)23-16-9-11-17(27-5)12-10-16/h7,9-12,14,23,26H,6,8H2,1-5H3
InChIKey CAMCFABUXLLOPC-UHFFFAOYSA-N
Mol Weight 369.46 g/mol
Molecular Formula C22H27NO4
Exact Mass 369.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ONMeQEQLHc
Name 2-(1,5-DIMETHYL-4-HEXENYL)-3-HYDROXY-5-METHYL-6-[(4'-METHOXYPHENYL)-AMINE]-1,4-BENZOQUINONE
Compound Number P-ME OAPZ
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO4
InChI InChI=1S/C22H27NO4/c1-13(2)7-6-8-14(3)18-21(25)19(15(4)20(24)22(18)26)23-16-9-11-17(27-5)12-10-16/h7,9-12,14,23,26H,6,8H2,1-5H3
InChIKey CAMCFABUXLLOPC-UHFFFAOYSA-N
Literature Reference Author M.AGUILAR-MARTINEZ,J.A.BAUTISTA-MARTINEZ,N.MACIAS-RUVALCABA, I.GONZALES,E.TOVAR,
Literature Reference Citation J.ORG.CHEM.,66,8349(2001)
Literature Reference DOI 10.1021/jo010302z
Molecular Weight 369.461 g/mol
Solvent CDCl3
Source File Reference UWLU29096