BIS-[5,5'-(1,3-PROPANEDIYLDIAMINO)-BIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)-(2,6-PYRIDINEDIYL)]-PHANE

SpectraBase Compound ID	4xUCSlYb3QR
InChI	InChI=1S/C28H30N14S4/c1-39-25-29-13-7-14-30-26-40(2)37-23(45-26)19-11-6-12-20(34-19)24-38-42(4)28(46-24)32-16-8-15-31-27-41(3)36-22(44-27)18-10-5-9-17(33-18)21(35-39)43-25/h5-6,9-12H,7-8,13-16H2,1-4H3/b29-25-,30-26+,31-27+,32-28-
InChIKey	YQTRRGDZFXOHGB-QMIMHANNSA-N Google Search
Mol Weight	690.9 g/mol
Molecular Formula	C28H30N14S4
Exact Mass	690.166072 g/mol

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SpectraBase Spectrum ID	IMEkdEBQXIc
Name	BIS-[5,5'-(1,3-PROPANEDIYLDIAMINO)-BIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)-(2,6-PYRIDINEDIYL)]-PHANE
Compound Number	4D
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C28H30N14S4
InChI	InChI=1S/C28H30N14S4/c1-39-25-29-13-7-14-30-26-40(2)37-23(45-26)19-11-6-12-20(34-19)24-38-42(4)28(46-24)32-16-8-15-31-27-41(3)36-22(44-27)18-10-5-9-17(33-18)21(35-39)43-25/h5-6,9-12H,7-8,13-16H2,1-4H3/b29-25-,30-26+,31-27+,32-28-
InChIKey	YQTRRGDZFXOHGB-QMIMHANNSA-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	690.880 g/mol
Solvent	DMSO-D6:TFA