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2-((1-(2-Bromophenyl)-3-phenylprop-2-yn-1-yl)thio)-1H-benzo[d]imidazole
SpectraBase Compound ID F4j1qev4uct
InChI InChI=1S/C22H15BrN2S/c23-18-11-5-4-10-17(18)21(15-14-16-8-2-1-3-9-16)26-22-24-19-12-6-7-13-20(19)25-22/h1-13,21H,(H,24,25)
InChIKey WVRJSBWRGPBFFW-UHFFFAOYSA-N
Mol Weight 419.34 g/mol
Molecular Formula C22H15BrN2S
Exact Mass 418.013933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7p0TxPFvU4S
Name 2-((1-(2-Bromophenyl)-3-phenylprop-2-yn-1-yl)thio)-1H-benzo[d]imidazole
Appearance White solid
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Formula C22H15BrN2S
InChI InChI=1S/C22H15BrN2S/c23-18-11-5-4-10-17(18)21(15-14-16-8-2-1-3-9-16)26-22-24-19-12-6-7-13-20(19)25-22/h1-13,21H,(H,24,25)
InChIKey WVRJSBWRGPBFFW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200254
Molecular Weight 419.340 g/mol
Reported Formula C22H15BrN2S
SMILES [nH]1c2ccccc2nc1SC(c1ccccc1Br)C#Cc1ccccc1
SPLASH splash10-01b9-1111900000-3bde76d513a988513444
Source of Spectrum ASC-364-SM32-3f
Wiley ID 1868506