[5,5'-(1,4-BUTANEDIYLDIAMINO)-BIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)-(ORTHO-PHENYLENEDIOXY)-DIMETHYLENE)]-PHANE

SpectraBase Compound ID	9KlZglm5h9i
InChI	InChI=1S/C18H22N6O2S2/c1-23-17-19-9-5-6-10-20-18-24(2)22-16(28-18)12-26-14-8-4-3-7-13(14)25-11-15(21-23)27-17/h3-4,7-8H,5-6,9-12H2,1-2H3/b19-17-,20-18-
InChIKey	NEFGGMKEKTYRIJ-CLFAGFIQSA-N Google Search
Mol Weight	418.53 g/mol
Molecular Formula	C18H22N6O2S2
Exact Mass	418.124566 g/mol

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SpectraBase Spectrum ID	3ah6QPFmlTK
Name	[5,5'-(1,4-BUTANEDIYLDIAMINO)-BIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)-(ORTHO-PHENYLENEDIOXY)-DIMETHYLENE)]-PHANE
Compound Number	3B
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C18H22N6O2S2
InChI	InChI=1S/C18H22N6O2S2/c1-23-17-19-9-5-6-10-20-18-24(2)22-16(28-18)12-26-14-8-4-3-7-13(14)25-11-15(21-23)27-17/h3-4,7-8H,5-6,9-12H2,1-2H3/b19-17-,20-18-
InChIKey	NEFGGMKEKTYRIJ-CLFAGFIQSA-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	418.532 g/mol
Solvent	CDCl3
Source File Reference	UWCP7191