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2-((2-Methyl-4-phenylbut-3-yn-2-yl)thio)-1H-benzo[d]imidazole
SpectraBase Compound ID ISdY5tu0ZVo
InChI InChI=1S/C18H16N2S/c1-18(2,13-12-14-8-4-3-5-9-14)21-17-19-15-10-6-7-11-16(15)20-17/h3-11H,1-2H3,(H,19,20)
InChIKey RTEBUHHOFOKQJK-UHFFFAOYSA-N
Mol Weight 292.4 g/mol
Molecular Formula C18H16N2S
Exact Mass 292.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKXyNrgMM07
Name 2-((2-Methyl-4-phenylbut-3-yn-2-yl)thio)-1H-benzo[d]imidazole
Appearance White solid
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Formula C18H16N2S
InChI InChI=1S/C18H16N2S/c1-18(2,13-12-14-8-4-3-5-9-14)21-17-19-15-10-6-7-11-16(15)20-17/h3-11H,1-2H3,(H,19,20)
InChIKey RTEBUHHOFOKQJK-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200254
Molecular Weight 292.400 g/mol
Reported Formula C18H16N2S
SMILES [nH]1c(nc2ccccc12)SC(C#Cc1ccccc1)(C)C
SPLASH splash10-0a4l-4190000000-3bc22ff7f016cf689f30
Source of Spectrum ASC-364-SM39-5
Wiley ID 1868530