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4-(2-PHTHALIMIDOETHYL)-BIS-[1,2]-DITHIOLO-[3,4-B:4',3'-E]-PYRROLE-3,5-DITHIONE
SpectraBase Compound ID ES1IsvFIi9P
InChI InChI=1S/C16H8N2O2S6/c19-13-7-3-1-2-4-8(7)14(20)18(13)6-5-17-9-11(23-25-15(9)21)12-10(17)16(22)26-24-12/h1-4H,5-6H2
InChIKey XKAGURPXUHJMTL-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C16H8N2O2S6
Exact Mass 451.891005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTv5thxgrNO
Name 4-(2-PHTHALIMIDOETHYL)-BIS-[1,2]-DITHIOLO-[3,4-B:4',3'-E]-PYRROLE-3,5-DITHIONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H8N2O2S6
InChI InChI=1S/C16H8N2O2S6/c19-13-7-3-1-2-4-8(7)14(20)18(13)6-5-17-9-11(23-25-15(9)21)12-10(17)16(22)26-24-12/h1-4H,5-6H2
InChIKey XKAGURPXUHJMTL-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 452.612 g/mol
Sample ID 40141
Solvent C5D5N