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(E)-1-Benzyl-2-(styrylthio)-1H-benzo[d]imidazole
SpectraBase Compound ID 3G7ALUDzBBE
InChI InChI=1S/C22H18N2S/c1-3-9-18(10-4-1)15-16-25-22-23-20-13-7-8-14-21(20)24(22)17-19-11-5-2-6-12-19/h1-16H,17H2/b16-15+
InChIKey MMMNBPBAMKBCNJ-FOCLMDBBSA-N
Mol Weight 342.46 g/mol
Molecular Formula C22H18N2S
Exact Mass 342.11907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COCmomhlYyc
Name (E)-1-Benzyl-2-(styrylthio)-1H-benzo[d]imidazole
Appearance Colorless oil
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Formula C22H18N2S
InChI InChI=1S/C22H18N2S/c1-3-9-18(10-4-1)15-16-25-22-23-20-13-7-8-14-21(20)24(22)17-19-11-5-2-6-12-19/h1-16H,17H2/b16-15+
InChIKey MMMNBPBAMKBCNJ-FOCLMDBBSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01794
Molecular Weight 342.460 g/mol
Reported Formula C22H18N2(32)S
SMILES c1(\C=C\Sc2[n](c3c(n2)cccc3)Cc2ccccc2)ccccc1
SPLASH splash10-0006-7095000000-456eb103a2c84b6b899e
Source of Spectrum A1-23-SM22-S8a
Thin-Layer Chromatography Rf = 0.38 (hexane/EtOAc, 4:1)
Wiley ID 1868091