1,3-BIS-[ORTHO-(N-METHYLIDENAMINO-3-PARA-CHLOROPHENYL-5-PHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-PROPANE

SpectraBase Compound ID	EzuQXlpzng4
InChI	InChI=1S/C45H34Cl2N8O2/c46-38-24-20-34(21-25-38)44-52-50-42(32-12-3-1-4-13-32)54(44)48-30-36-16-7-9-18-40(36)56-28-11-29-57-41-19-10-8-17-37(41)31-49-55-43(33-14-5-2-6-15-33)51-53-45(55)35-22-26-39(47)27-23-35/h1-10,12-27,30-31H,11,28-29H2/b48-30+,49-31+
InChIKey	GBNDUANUCBWTAF-KRBKXRIHSA-N Google Search
Mol Weight	789.7 g/mol
Molecular Formula	C45H34Cl2N8O2
Exact Mass	788.218178 g/mol

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SpectraBase Spectrum ID	CWFASLZee2v
Name	1,3-BIS-[ORTHO-(N-METHYLIDENAMINO-3-PARA-CHLOROPHENYL-5-PHENYL-4H-1,2,4-TRIAZOLE-4-YL)-PHENOXY]-PROPANE
Compound Number	4F
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C45H34Cl2N8O2
InChI	InChI=1S/C45H34Cl2N8O2/c46-38-24-20-34(21-25-38)44-52-50-42(32-12-3-1-4-13-32)54(44)48-30-36-16-7-9-18-40(36)56-28-11-29-57-41-19-10-8-17-37(41)31-49-55-43(33-14-5-2-6-15-33)51-53-45(55)35-22-26-39(47)27-23-35/h1-10,12-27,30-31H,11,28-29H2/b48-30+,49-31+
InChIKey	GBNDUANUCBWTAF-KRBKXRIHSA-N
Literature Reference Author	O.BEKIRCAN,H.BEKTAS
Literature Reference Citation	MOLECULES,11,469(2006)
Literature Reference DOI	10.3390/11060469
Molecular Weight	789.723 g/mol
Sample ID	38594
Solvent	DMSO-D6