BIS-[5,5'-(META-XYLYLENEDIAMINO)-BIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)-(OXYDIMETHYLENE)]-PHANE

SpectraBase Compound ID	EQScT3ic8rZ
InChI	InChI=1S/C32H36N12O2S4/c1-41-29-33-13-21-7-5-8-22(11-21)14-34-31-43(3)39-27(49-31)19-46-20-28-40-44(4)32(50-28)36-16-24-10-6-9-23(12-24)15-35-30-42(2)38-26(48-30)18-45-17-25(37-41)47-29/h5-12H,13-20H2,1-4H3/b33-29-,34-31+,35-30+,36-32-
InChIKey	KTEGYMONUCLUNV-MGVPOOCZSA-N Google Search
Mol Weight	749.0 g/mol
Molecular Formula	C32H36N12O2S4
Exact Mass	748.196703 g/mol

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SpectraBase Spectrum ID	Ljy8KTfsiPW
Name	BIS-[5,5'-(META-XYLYLENEDIAMINO)-BIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)-(OXYDIMETHYLENE)]-PHANE
Compound Number	4G
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C32H36N12O2S4
InChI	InChI=1S/C32H36N12O2S4/c1-41-29-33-13-21-7-5-8-22(11-21)14-34-31-43(3)39-27(49-31)19-46-20-28-40-44(4)32(50-28)36-16-24-10-6-9-23(12-24)15-35-30-42(2)38-26(48-30)18-45-17-25(37-41)47-29/h5-12H,13-20H2,1-4H3/b33-29-,34-31+,35-30+,36-32-
InChIKey	KTEGYMONUCLUNV-MGVPOOCZSA-N
Literature Reference Author	P.MOLINA,A.TARRAGA,C.GASPAR,A.ESPINOSA
Literature Reference Citation	J.ORG.CHEM.,59,3665(1994)
Literature Reference DOI	10.1021/jo00092a027
Molecular Weight	748.957 g/mol
Solvent	CDCl3
Source File Reference	UWCP7196