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[5,5'-(3,6-DIOXA-1,8-OCTANDIYLDIAMINO)-BIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)-(ORTHO-PHENYLENEDIOXY)-DIMETHYLENE)]-PHANE
SpectraBase Compound ID Fkex7HChHpv
InChI InChI=1S/C20H26N6O4S2/c1-25-19-21-7-9-27-11-12-28-10-8-22-20-26(2)24-18(32-20)14-30-16-6-4-3-5-15(16)29-13-17(23-25)31-19/h3-6H,7-14H2,1-2H3/b21-19-,22-20-
InChIKey UPZNICQTMUVBAR-WRBBJXAJSA-N
Mol Weight 478.59 g/mol
Molecular Formula C20H26N6O4S2
Exact Mass 478.145696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4oqBx9r6db
Name [5,5'-(3,6-DIOXA-1,8-OCTANDIYLDIAMINO)-BIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)-(ORTHO-PHENYLENEDIOXY)-DIMETHYLENE)]-PHANE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26N6O4S2
InChI InChI=1S/C20H26N6O4S2/c1-25-19-21-7-9-27-11-12-28-10-8-22-20-26(2)24-18(32-20)14-30-16-6-4-3-5-15(16)29-13-17(23-25)31-19/h3-6H,7-14H2,1-2H3/b21-19-,22-20-
InChIKey UPZNICQTMUVBAR-WRBBJXAJSA-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 478.584 g/mol
Solvent CDCl3
Source File Reference UWCP7192