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4-ETHYL-3-OXO-5-[4-[N-(PARA-TOLUENESULFONYLMETHYL)-IMINO]-[1,3]-DITHIETAN-2-YLIDENYL)-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE

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4-ETHYL-3-OXO-5-[4-[N-(PARA-TOLUENESULFONYLMETHYL)-IMINO]-[1,3]-DITHIETAN-2-YLIDENYL)-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
SpectraBase Compound ID 6pDmMQuWxKJ
InChI InChI=1S/C17H14N2O3S7/c1-3-19-11-13(20)27-28-16(11)24-14(23)12(19)15-25-17(26-15)18-8-29(21,22)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3/b15-12-,18-17+
InChIKey INBIFOUUKYPEGU-RTEPIGOCSA-N
Mol Weight 518.7 g/mol
Molecular Formula C17H14N2O3S7
Exact Mass 517.904941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYJaqOSQhB7
Name 4-ETHYL-3-OXO-5-[4-[N-(PARA-TOLUENESULFONYLMETHYL)-IMINO]-[1,3]-DITHIETAN-2-YLIDENYL)-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14N2O3S7
InChI InChI=1S/C17H14N2O3S7/c1-3-19-11-13(20)27-28-16(11)24-14(23)12(19)15-25-17(26-15)18-8-29(21,22)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3/b15-12-,18-17+
InChIKey INBIFOUUKYPEGU-RTEPIGOCSA-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 518.730 g/mol
Solvent CDCl3
Source File Reference UWVN24094