For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(1,5-DIMETHYL-4-HEXENYL)-3-HYDROXY-5-METHYL-6-[(4'-BROMOPHENYL)-AMINE]-1,4-BENZOQUINONE
SpectraBase Compound ID GQBAX6CQXFM
InChI InChI=1S/C21H24BrNO3/c1-12(2)6-5-7-13(3)17-20(25)18(14(4)19(24)21(17)26)23-16-10-8-15(22)9-11-16/h6,8-11,13,23,26H,5,7H2,1-4H3
InChIKey BVANPQSODNUZFZ-UHFFFAOYSA-N
Mol Weight 418.33 g/mol
Molecular Formula C21H24BrNO3
Exact Mass 417.093957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 34UKyU0YXHK
Name 2-(1,5-DIMETHYL-4-HEXENYL)-3-HYDROXY-5-METHYL-6-[(4'-BROMOPHENYL)-AMINE]-1,4-BENZOQUINONE
Compound Number P-BRAP Z
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24BrNO3
InChI InChI=1S/C21H24BrNO3/c1-12(2)6-5-7-13(3)17-20(25)18(14(4)19(24)21(17)26)23-16-10-8-15(22)9-11-16/h6,8-11,13,23,26H,5,7H2,1-4H3
InChIKey BVANPQSODNUZFZ-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 418.330 g/mol
Solvent CDCl3
Source File Reference UWLU29099