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BIS-[5,5'-(3,6-DIOXA-1,8-OCTANDIYLDIAMINO)-BIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)]-PHANE
SpectraBase Compound ID GNUSC4sEWTf
InChI InChI=1S/C24H36N12O4S4/c1-33-21-25-5-9-37-13-14-38-11-7-27-23-35(3)31-19(43-23)20-32-36(4)24(44-20)28-8-12-40-16-15-39-10-6-26-22-34(2)30-18(42-22)17(29-33)41-21/h5-16H2,1-4H3/b25-21-,26-22-,27-23-,28-24-
InChIKey OBKWDOLKWSBRKQ-VUMQXKEWSA-N
Mol Weight 684.9 g/mol
Molecular Formula C24H36N12O4S4
Exact Mass 684.186532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7XMcAEL7sQ
Name BIS-[5,5'-(3,6-DIOXA-1,8-OCTANDIYLDIAMINO)-BIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)]-PHANE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H36N12O4S4
InChI InChI=1S/C24H36N12O4S4/c1-33-21-25-5-9-37-13-14-38-11-7-27-23-35(3)31-19(43-23)20-32-36(4)24(44-20)28-8-12-40-16-15-39-10-6-26-22-34(2)30-18(42-22)17(29-33)41-21/h5-16H2,1-4H3/b25-21-,26-22-,27-23-,28-24-
InChIKey OBKWDOLKWSBRKQ-VUMQXKEWSA-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 684.868 g/mol
Solvent CDCl3
Source File Reference UWCP7193