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4-(2-Chloroethyl)bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazine-3,5-dione
SpectraBase Compound ID 7fqR7kK4eCw
InChI InChI=1S/C8H4ClNO2S5/c9-1-2-10-3-5(11)14-16-7(3)13-8-4(10)6(12)15-17-8/h1-2H2
InChIKey PEIGOSLZBJMISX-UHFFFAOYSA-N
Mol Weight 341.9 g/mol
Molecular Formula C8H4ClNO2S5
Exact Mass 340.853412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRfgsdazKun
Name 4-(2-CHLOROETHYL)-BIS-[1,2]-DITHIOLO-[3,4-B:4',3'-E]-[1,4]-THIAZINE-3,5-DIONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H4ClNO2S5
InChI InChI=1S/C8H4ClNO2S5/c9-1-2-10-3-5(11)14-16-7(3)13-8-4(10)6(12)15-17-8/h1-2H2
InChIKey PEIGOSLZBJMISX-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 341.878 g/mol
Sample ID 40134
Solvent CDCl3