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2-((3-((4-Chlorophenyl)thio)propyl)thio)-1H-benzo[d]imidazole
SpectraBase Compound ID 9RbfHyNiXxv
InChI InChI=1S/C16H15ClN2S2/c17-12-6-8-13(9-7-12)20-10-3-11-21-16-18-14-4-1-2-5-15(14)19-16/h1-2,4-9H,3,10-11H2,(H,18,19)
InChIKey PXJGKJKWKULVGQ-UHFFFAOYSA-N
Mol Weight 334.88 g/mol
Molecular Formula C16H15ClN2S2
Exact Mass 334.036519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVGIgozTdTl
Name 2-((3-((4-Chlorophenyl)thio)propyl)thio)-1H-benzo[d]imidazole
Appearance Colorless viscous oil
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Formula C16H15ClN2S2
InChI InChI=1S/C16H15ClN2S2/c17-12-6-8-13(9-7-12)20-10-3-11-21-16-18-14-4-1-2-5-15(14)19-16/h1-2,4-9H,3,10-11H2,(H,18,19)
InChIKey PXJGKJKWKULVGQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1021/acsmedchemlett.7b00100
Molecular Weight 334.883 g/mol
Reported Formula C16H15ClN2S2
SMILES [nH]1c2c(nc1SCCCSc1ccc(Cl)cc1)cccc2
SPLASH splash10-0udr-0932000000-da121a5e883110877764
Source of Spectrum MCS-8-SM26-13
Thin-Layer Chromatography Rf = 0.57 (CH/EE, 2:1)
Wiley ID 1870725