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2-(1,5-DIMETHYL-4-HEXENYL)-3-HYDROXY-5-METHYL-6-[(4'-NITROPHENYL)-AMINE]-1,4-BENZOQUINONE
SpectraBase Compound ID 87SZ13AZRDv
InChI InChI=1S/C21H24N2O5/c1-12(2)6-5-7-13(3)17-20(25)18(14(4)19(24)21(17)26)22-15-8-10-16(11-9-15)23(27)28/h6,8-11,13,22,26H,5,7H2,1-4H3
InChIKey VUWMNOZBHBXFQI-UHFFFAOYSA-N
Mol Weight 384.43 g/mol
Molecular Formula C21H24N2O5
Exact Mass 384.168522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfjsPnSBfM5
Name 2-(1,5-DIMETHYL-4-HEXENYL)-3-HYDROXY-5-METHYL-6-[(4'-NITROPHENYL)-AMINE]-1,4-BENZOQUINONE
Compound Number P-NO2A PZ
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24N2O5
InChI InChI=1S/C21H24N2O5/c1-12(2)6-5-7-13(3)17-20(25)18(14(4)19(24)21(17)26)22-15-8-10-16(11-9-15)23(27)28/h6,8-11,13,22,26H,5,7H2,1-4H3
InChIKey VUWMNOZBHBXFQI-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 384.432 g/mol
Solvent CDCl3
Source File Reference UWLU29102