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(+/-)-(E)-4-ETHYL-3-OXO-5-[3,5-DI-(2,4-DICHLOROPHENYL)-[1,3,4]-THIADIAZOL-2-YLIDENYL]-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
SpectraBase Compound ID BEIVwqmTX6j
InChI InChI=1S/2C21H11Cl4N3OS5/c2*1-2-27-15(20(30)32-21-16(27)19(29)33-34-21)18-28(14-6-4-10(23)8-13(14)25)26-17(31-18)11-5-3-9(22)7-12(11)24/h2*3-8H,2H2,1H3/b2*18-15+
InChIKey XWALOEDLFGFUSC-RWBZTDLMSA-N
Mol Weight 1246.9 g/mol
Molecular Formula C42H22Cl8N6O2S10
Exact Mass 1241.651957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BvjfRNwVA9Z
Name (+/-)-(E)-4-ETHYL-3-OXO-5-[3,5-DI-(2,4-DICHLOROPHENYL)-[1,3,4]-THIADIAZOL-2-YLIDENYL]-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H22Cl8N6O2S10
InChI InChI=1S/2C21H11Cl4N3OS5/c2*1-2-27-15(20(30)32-21-16(27)19(29)33-34-21)18-28(14-6-4-10(23)8-13(14)25)26-17(31-18)11-5-3-9(22)7-12(11)24/h2*3-8H,2H2,1H3/b2*18-15+
InChIKey XWALOEDLFGFUSC-RWBZTDLMSA-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 1246.900 g/mol
Solvent CDCl3
Source File Reference UWVN24090