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(2-E,N',E)-3-{4-(E)-3,7-DIMETHYLOCTA-2,6-DIENYLOXY]-PHENYL}-N'-[PHTHALAZIN-1-(2-H)-YLIDENE]-ACRYLOHYDRAZIDE
SpectraBase Compound ID 8NEuYk8EmXe
InChI InChI=1S/C27H30N4O2/c1-20(2)7-6-8-21(3)17-18-33-24-14-11-22(12-15-24)13-16-26(32)29-31-27-25-10-5-4-9-23(25)19-28-30-27/h4-5,7,9-17,19H,6,8,18H2,1-3H3,(H,29,32)(H,30,31)/b16-13+,21-17+
InChIKey NUPQHKPBYHREMI-HDNIMXTOSA-N
Mol Weight 442.56 g/mol
Molecular Formula C27H30N4O2
Exact Mass 442.236876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 206je8UTPLE
Name (2-E,N',E)-3-{4-(E)-3,7-DIMETHYLOCTA-2,6-DIENYLOXY]-PHENYL}-N'-[PHTHALAZIN-1-(2-H)-YLIDENE]-ACRYLOHYDRAZIDE
Compound Number 12F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30N4O2
InChI InChI=1S/C27H30N4O2/c1-20(2)7-6-8-21(3)17-18-33-24-14-11-22(12-15-24)13-16-26(32)29-31-27-25-10-5-4-9-23(25)19-28-30-27/h4-5,7,9-17,19H,6,8,18H2,1-3H3,(H,29,32)(H,30,31)/b16-13+,21-17+
InChIKey NUPQHKPBYHREMI-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 442.561 g/mol
Solvent DMSO-D6+DROPS_OF_CF3COOD
Source File Reference UWMZ48161