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4-(5-Chloro-Tetrathiafulvalene-4-yl)benzonitrile
SpectraBase Compound ID 2bc8IOlOknL
InChI InChI=1S/C13H6ClNS4/c14-11-10(9-3-1-8(7-15)2-4-9)18-13(19-11)12-16-5-6-17-12/h1-6H
InChIKey KPGIWBUYIAKZBB-UHFFFAOYSA-N
Mol Weight 339.9 g/mol
Molecular Formula C13H6ClNS4
Exact Mass 338.907162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7X08Qq4nqH2
Name 4-(5-Chloro-Tetrathiafulvalene-4-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H6ClNS4
InChI InChI=1S/C13H6ClNS4/c14-11-10(9-3-1-8(7-15)2-4-9)18-13(19-11)12-16-5-6-17-12/h1-6H
InChIKey KPGIWBUYIAKZBB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b02715
Molecular Weight 339.891 g/mol
SMILES C1(=C2SC=CS2)SC(c2ccc(cc2)C#N)=C(Cl)S1
SPLASH splash10-000f-0449000000-245a9acead32e02de2fd
Source of Spectrum A1-17-5356/SM23-7d
Synonyms 4-(5-Chloro-[2,2'-bi(1,3-dithiolylidene)]-4-yl)benzonitrile
Wiley ID 1802597