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(E)-4-ETHYL-3-OXO-5-[3,5-DI-(4-CYANOPHENYL)-[1,3,4]-THIADIAZOL-2-YLIDENYL]-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
SpectraBase Compound ID BfddIs34C5A
InChI InChI=1S/C23H13N5OS5/c1-2-27-17(22(30)32-23-18(27)21(29)33-34-23)20-28(16-9-5-14(12-25)6-10-16)26-19(31-20)15-7-3-13(11-24)4-8-15/h3-10H,2H2,1H3/b20-17+
InChIKey ACCBEFCDROSYLH-LVZFUZTISA-N
Mol Weight 535.7 g/mol
Molecular Formula C23H13N5OS5
Exact Mass 534.972366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bwjd1OeYE8f
Name (E)-4-ETHYL-3-OXO-5-[3,5-DI-(4-CYANOPHENYL)-[1,3,4]-THIADIAZOL-2-YLIDENYL]-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H13N5OS5
InChI InChI=1S/C23H13N5OS5/c1-2-27-17(22(30)32-23-18(27)21(29)33-34-23)20-28(16-9-5-14(12-25)6-10-16)26-19(31-20)15-7-3-13(11-24)4-8-15/h3-10H,2H2,1H3/b20-17+
InChIKey ACCBEFCDROSYLH-LVZFUZTISA-N
Literature Reference Author S.BARRIGA,P.FUERTES,C.F.MARCOS,D.MIGUEL,O.A.RAKITIN,C.W.REES ,T.TORROBA
Literature Reference Citation J.ORG.CHEM.,66,5766(2001)
Literature Reference DOI 10.1021/jo010368u
Molecular Weight 535.689 g/mol
Solvent C5D5N
Source File Reference UWVN24089