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4-(2-Phenylthioethyl)bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazine-3,5-dione
SpectraBase Compound ID KJsm49Kns62
InChI InChI=1S/C14H9NO2S6/c16-11-9-13(22-20-11)19-14-10(12(17)21-23-14)15(9)6-7-18-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey DSAQVKXCTLSPQK-UHFFFAOYSA-N
Mol Weight 415.6 g/mol
Molecular Formula C14H9NO2S6
Exact Mass 414.895756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID sUBmUxlCkQ
Name 4-(2-PHENYLTHIOETHYL)-BIS-[1,2]-DITHIOLO-[3,4-B:4',3'-E]-[1,4]-THIAZINE-3,5-DIONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H9NO2S6
InChI InChI=1S/C14H9NO2S6/c16-11-9-13(22-20-11)19-14-10(12(17)21-23-14)15(9)6-7-18-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey DSAQVKXCTLSPQK-UHFFFAOYSA-N
Literature Reference Author C.W.REES,A.J.P.WHITE,D.J.WILLIAMS,O.A.RAKITIN,L.S.KONSTANTIN OVA,C.F.MARCOS,T.TOR
Literature Reference Citation J.ORG.CHEM.,64,5010(1999)
Literature Reference DOI 10.1021/jo9902345
Molecular Weight 415.591 g/mol
Sample ID 40139
Solvent CDCl3