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2-(1,5-DIMETHYL-4-HEXENYL)-3-HYDROXY-6-[(4'-METHYLPHENYL)-AMINE]-1,4-BENZOQUINONE
SpectraBase Compound ID 7m0gDaNowZx
InChI InChI=1S/C22H27NO3/c1-13(2)7-6-8-15(4)18-21(25)19(16(5)20(24)22(18)26)23-17-11-9-14(3)10-12-17/h7,9-12,15,23,26H,6,8H2,1-5H3
InChIKey OTDRBIQCBPNNLN-UHFFFAOYSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EdhqGvPDxbQ
Name 2-(1,5-DIMETHYL-4-HEXENYL)-3-HYDROXY-6-[(4'-METHYLPHENYL)-AMINE]-1,4-BENZOQUINONE
Compound Number P-MEAPZ
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c1-13(2)7-6-8-15(4)18-21(25)19(16(5)20(24)22(18)26)23-17-11-9-14(3)10-12-17/h7,9-12,15,23,26H,6,8H2,1-5H3
InChIKey OTDRBIQCBPNNLN-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 353.461 g/mol
Solvent CDCl3
Source File Reference UWLU29097