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3-(4-((E)-3,7-DIMETHYLOCTA-2,6-DIENYLOXY)-STYRYL)-[1.2.4]-TRIAZOLO-[3.4-ALPHA]-PHTHALAZINE
SpectraBase Compound ID 6E6wgWUWsiC
InChI InChI=1S/C27H28N4O/c1-20(2)7-6-8-21(3)17-18-32-24-14-11-22(12-15-24)13-16-26-29-30-27-25-10-5-4-9-23(25)19-28-31(26)27/h4-5,7,9-17,19H,6,8,18H2,1-3H3/b16-13+,21-17+
InChIKey WNVUVFJHRZINBE-HDNIMXTOSA-N
Mol Weight 424.55 g/mol
Molecular Formula C27H28N4O
Exact Mass 424.226312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSiCu5te7CC
Name 3-(4-((E)-3,7-DIMETHYLOCTA-2,6-DIENYLOXY)-STYRYL)-[1.2.4]-TRIAZOLO-[3.4-ALPHA]-PHTHALAZINE
Compound Number 13F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28N4O
InChI InChI=1S/C27H28N4O/c1-20(2)7-6-8-21(3)17-18-32-24-14-11-22(12-15-24)13-16-26-29-30-27-25-10-5-4-9-23(25)19-28-31(26)27/h4-5,7,9-17,19H,6,8,18H2,1-3H3/b16-13+,21-17+
InChIKey WNVUVFJHRZINBE-HDNIMXTOSA-N
Literature Reference Author P.DE,G.K.YOYA,P.CONSTANT,F.BEDOS-BELVAL,H.DURAN,N.SAFFON,M.D AFFE,M.BALTAS
Literature Reference Citation J.MED.CHEM.,54,1449(2011)
Literature Reference DOI 10.1021/jm101510d
Molecular Weight 424.546 g/mol
Solvent CDCl3
Source File Reference UWMZ48167