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3-(4-Chlorophenyl)-4,5-diphenyl-1-p-tolyl-1H-imidazole-2(3H)-thione
SpectraBase Compound ID IdAUmGGG67v
InChI InChI=1S/C28H21ClN2S/c1-20-12-16-24(17-13-20)30-26(21-8-4-2-5-9-21)27(22-10-6-3-7-11-22)31(28(30)32)25-18-14-23(29)15-19-25/h2-19H,1H3
InChIKey GMSYXJOHHBVRAR-UHFFFAOYSA-N
Mol Weight 453.0 g/mol
Molecular Formula C28H21ClN2S
Exact Mass 452.111398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54m936kfsIx
Name 3-(4-Chlorophenyl)-4,5-diphenyl-1-p-tolyl-1H-imidazole-2(3H)-thione
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21ClN2S
InChI InChI=1S/C28H21ClN2S/c1-20-12-16-24(17-13-20)30-26(21-8-4-2-5-9-21)27(22-10-6-3-7-11-22)31(28(30)32)25-18-14-23(29)15-19-25/h2-19H,1H3
InChIKey GMSYXJOHHBVRAR-UHFFFAOYSA-N
Instrument Name Varian Mat CH-7
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2585
Molecular Weight 453.003 g/mol
SMILES c1(ccccc1)C=1N(C(N(C1c1ccccc1)c1ccc(cc1)C)=S)c1ccc(cc1)Cl
SPLASH splash10-0w29-0500900000-23c10faa2348d75cc70f
Source of Spectrum Y-54-317-4d
Wiley ID 1877828