1,4-DIOCTYL-2,5-BIS-(4-(1H-PHENANTHRO-[9,10-D]-IMIDAZOL-2-YL)-PHENYL)-BENZENE

SpectraBase Compound ID	153G7Izctas
InChI	InChI=1S/C64H62N4/c1-3-5-7-9-11-13-23-47-41-58(44-35-39-46(40-36-44)64-67-61-55-31-21-17-27-51(55)52-28-18-22-32-56(52)62(61)68-64)48(24-14-12-10-8-6-4-2)42-57(47)43-33-37-45(38-34-43)63-65-59-53-29-19-15-25-49(53)50-26-16-20-30-54(50)60(59)66-63/h15-22,25-42H,3-14,23-24H2,1-2H3,(H,65,66)(H,67,68)
InChIKey	ZAVFCJLNHPWPMY-UHFFFAOYSA-N Google Search
Mol Weight	887.2 g/mol
Molecular Formula	C64H62N4
Exact Mass	886.497448 g/mol

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SpectraBase Spectrum ID	JloiTpOgoA9
Name	1,4-DIOCTYL-2,5-BIS-(4-(1H-PHENANTHRO-[9,10-D]-IMIDAZOL-2-YL)-PHENYL)-BENZENE
Compound Number	7
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C64H62N4
InChI	InChI=1S/C64H62N4/c1-3-5-7-9-11-13-23-47-41-58(44-35-39-46(40-36-44)64-67-61-55-31-21-17-27-51(55)52-28-18-22-32-56(52)62(61)68-64)48(24-14-12-10-8-6-4-2)42-57(47)43-33-37-45(38-34-43)63-65-59-53-29-19-15-25-49(53)50-26-16-20-30-54(50)60(59)66-63/h15-22,25-42H,3-14,23-24H2,1-2H3,(H,65,66)(H,67,68)
InChIKey	ZAVFCJLNHPWPMY-UHFFFAOYSA-N
Literature Reference Author	F.C.KREBS,H.SPANGGAARD
Literature Reference Citation	J.ORG.CHEM.,67,7185(2002)
Literature Reference DOI	10.1021/jo025592d
Molecular Weight	887.223 g/mol
Solvent	DMSO-D6
Source File Reference	UWSI22158