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2-(1,5-DIMETHYL-4-HEXENYL)-3-METHOXY-5-METHYL-6-[(4'-BROMOPHENYL)-AMINE]-1,4-BENZOQUINONE
SpectraBase Compound ID LrcbAhlmx9v
InChI InChI=1S/C22H26BrNO3/c1-13(2)7-6-8-14(3)18-21(26)19(15(4)20(25)22(18)27-5)24-17-11-9-16(23)10-12-17/h7,9-12,14,24H,6,8H2,1-5H3
InChIKey OKPNVLCYWWUESM-UHFFFAOYSA-N
Mol Weight 432.36 g/mol
Molecular Formula C22H26BrNO3
Exact Mass 431.109607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J9xuONUR3OS
Name 2-(1,5-DIMETHYL-4-HEXENYL)-3-METHOXY-5-METHYL-6-[(4'-BROMOPHENYL)-AMINE]-1,4-BENZOQUINONE
Compound Number P-BRAP ZM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26BrNO3
InChI InChI=1S/C22H26BrNO3/c1-13(2)7-6-8-14(3)18-21(26)19(15(4)20(25)22(18)27-5)24-17-11-9-16(23)10-12-17/h7,9-12,14,24H,6,8H2,1-5H3
InChIKey OKPNVLCYWWUESM-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 432.357 g/mol
Solvent CDCl3
Source File Reference UWLU29105