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2-(1,5-DIMETHYL-4-HEXENYL)-3-HYDROXY-5-METHYL-6-[(4'-CYANOPHENYL)-AMINE]-1,4-BENZOQUINONE
SpectraBase Compound ID 6SPOzuEiKug
InChI InChI=1S/C22H24N2O3/c1-13(2)6-5-7-14(3)18-21(26)19(15(4)20(25)22(18)27)24-17-10-8-16(12-23)9-11-17/h6,8-11,14,24,27H,5,7H2,1-4H3
InChIKey WOLKUQVTHHIMHG-UHFFFAOYSA-N
Mol Weight 364.45 g/mol
Molecular Formula C22H24N2O3
Exact Mass 364.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82MsKBaQknI
Name 2-(1,5-DIMETHYL-4-HEXENYL)-3-HYDROXY-5-METHYL-6-[(4'-CYANOPHENYL)-AMINE]-1,4-BENZOQUINONE
Compound Number P-CNAP Z
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24N2O3
InChI InChI=1S/C22H24N2O3/c1-13(2)6-5-7-14(3)18-21(26)19(15(4)20(25)22(18)27)24-17-10-8-16(12-23)9-11-17/h6,8-11,14,24,27H,5,7H2,1-4H3
InChIKey WOLKUQVTHHIMHG-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 364.444 g/mol
Solvent CDCl3
Source File Reference UWLU29101