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10-(4'-Chlorophenylethynyl)phenothiabismine
SpectraBase Compound ID A8rz37RKSqQ
InChI InChI=1S/C12H8S.C8H4Cl.Bi/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-7-3-5-8(9)6-4-7;/h1-7,9H;3-6H;
InChIKey ZTHSQUZBROXRIW-UHFFFAOYSA-N
Mol Weight 528.81 g/mol
Molecular Formula C20H12BiClS
Exact Mass 528.015224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Gtl8fN1YXX
Name 10-(4'-Chlorophenylethynyl)phenothiabismine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12BiClS
InChI InChI=1S/C12H8S.C8H4Cl.Bi/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-7-3-5-8(9)6-4-7;/h1-7,9H;3-6H;
InChIKey ZTHSQUZBROXRIW-UHFFFAOYSA-N
Molecular Weight 528.809 g/mol
SMILES C([Bi]1c2c(Sc3c1cccc3)cccc2)#Cc1ccc(Cl)cc1
SPLASH splash10-0a4r-0980000000-084702c914199c928110
Source of Spectrum KC-1992-1598-19
Synonyms 10-(4-Chloro-phenylethynyl)-10H-9-thia-10-bisma-anthracene
Wiley ID 776499