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2-((2-((2,4,5-Trichlorophenyl)thio)ethyl)thio)-1H-benzo[d]imidazole
SpectraBase Compound ID l7jCFYFBfx
InChI InChI=1S/C15H11Cl3N2S2/c16-9-7-11(18)14(8-10(9)17)21-5-6-22-15-19-12-3-1-2-4-13(12)20-15/h1-4,7-8H,5-6H2,(H,19,20)
InChIKey JFWWPFXQQQNNSQ-UHFFFAOYSA-N
Mol Weight 389.75 g/mol
Molecular Formula C15H11Cl3N2S2
Exact Mass 387.942924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZyWyHbIzT9
Name 2-((2-((2,4,5-Trichlorophenyl)thio)ethyl)thio)-1H-benzo[d]imidazole
Appearance Colorless oil
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Formula C15H11Cl3N2S2
InChI InChI=1S/C15H11Cl3N2S2/c16-9-7-11(18)14(8-10(9)17)21-5-6-22-15-19-12-3-1-2-4-13(12)20-15/h1-4,7-8H,5-6H2,(H,19,20)
InChIKey JFWWPFXQQQNNSQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1021/acsmedchemlett.7b00100
Molecular Weight 389.746 g/mol
Reported Formula C15H11Cl3N2S2
SMILES [nH]1c2c(nc1SCCSc1c(cc(c(Cl)c1)Cl)Cl)cccc2
SPLASH splash10-0udi-0900000000-26c0847642b9c759bf9f
Source of Spectrum MCS-8-SM25-11c
Thin-Layer Chromatography Rf = 0.64 (CH/EE, 2:1)
Wiley ID 1870722