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10-(4'-Chlorophenylethynyl)phenothiabismine 5,5-dioxide
SpectraBase Compound ID 5H0nSslbBVK
InChI InChI=1S/C12H8O2S.C8H4Cl.Bi/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-7-3-5-8(9)6-4-7;/h1-7,9H;3-6H;
InChIKey UAXGOYJFRQIHGS-UHFFFAOYSA-N
Mol Weight 560.81 g/mol
Molecular Formula C20H12BiClO2S
Exact Mass 560.005053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgIMPbX6VK3
Name 10-(4'-Chlorophenylethynyl)phenothiabismine 5,5-dioxide
Alternate Name(s) 10-(4-Chloro-phenylethynyl)-10H-9-thia-10-bisma-anthracene 9,9-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12BiClO2S
InChI InChI=1S/C12H8O2S.C8H4Cl.Bi/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-7-3-5-8(9)6-4-7;/h1-7,9H;3-6H;
InChIKey UAXGOYJFRQIHGS-UHFFFAOYSA-N
Molecular Weight 560.807 g/mol
SMILES c12S(c3c([Bi](c2cccc1)C#Cc1ccc(Cl)cc1)cccc3)(=O)=O
SPLASH splash10-0a4l-0094000000-90af6e928246b0fe73e7
Source of Spectrum KC-1992-1597-13
Wiley ID 776505