#1A;7,11,15,28-TETRACYANO-1,21,23,25-TETRAHEXYL-2,20:3,19-DIMETHENO-1H,21H,23H,25H-BIS-[1,3]-DIOXOCINO-[5,4-I:5',4'-I']-BENZO-[1,2-D:5,4-D']-BIS-[1,3]-BENZODIO

SpectraBase Compound ID	KZdqLdgMUPj
InChI	InChI=1S/C60H68N4O8/c1-5-9-13-17-21-37-41-25-43-38(22-18-14-10-6-2)45-27-47-40(24-20-16-12-8-4)48-28-46-39(23-19-15-11-7-3)44-26-42(37)54-50(30-62)56(44)68-35-70-58(46)52(32-64)60(48)72-36-71-59(47)51(31-63)57(45)69-34-67-55(43)49(29-61)53(41)65-33-66-54/h25-28,37-40H,5-24,33-36H2,1-4H3/t37-,38+,39-,40+
InChIKey	VLWHNYMJSHQXCL-WULPIUSMSA-N Google Search
Mol Weight	973.2 g/mol
Molecular Formula	C60H68N4O8
Exact Mass	972.503715 g/mol

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SpectraBase Spectrum ID	2dnfAajPc5e
Name	#1A;7,11,15,28-TETRACYANO-1,21,23,25-TETRAHEXYL-2,20:3,19-DIMETHENO-1H,21H,23H,25H-BIS-[1,3]-DIOXOCINO-[5,4-I:5',4'-I']-BENZO-[1,2-D:5,4-D']-BIS-[1,3]-BENZODIO
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C60H68N4O8
InChI	InChI=1S/C60H68N4O8/c1-5-9-13-17-21-37-41-25-43-38(22-18-14-10-6-2)45-27-47-40(24-20-16-12-8-4)48-28-46-39(23-19-15-11-7-3)44-26-42(37)54-50(30-62)56(44)68-35-70-58(46)52(32-64)60(48)72-36-71-59(47)51(31-63)57(45)69-34-67-55(43)49(29-61)53(41)65-33-66-54/h25-28,37-40H,5-24,33-36H2,1-4H3/t37-,38+,39-,40+
InChIKey	VLWHNYMJSHQXCL-WULPIUSMSA-N
Literature Reference Author	F.FOCHI,P.JACOPOZZI,E.WEGELIUS,K.RISSANEN,P.COZZINI,E.MARAST ONI,E.FISICARO,P.MAN
Literature Reference Citation	J.AM.CHEM.SOC.,123,7539(2001)
Literature Reference DOI	10.1021/ja0103492
Molecular Weight	973.222 g/mol
Solvent	CDCl3
Source File Reference	UWVN28037