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3-(4-Chlorophenyl)-4,5-diphenyl-m-tolyl-1H-imidazole-2(3H)-thione
SpectraBase Compound ID AAOLGcmWuK4
InChI InChI=1S/C28H21ClN2S/c1-20-9-8-14-25(19-20)31-27(22-12-6-3-7-13-22)26(21-10-4-2-5-11-21)30(28(31)32)24-17-15-23(29)16-18-24/h2-19H,1H3
InChIKey IQBPLUAHFYCASU-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 3vDdWEHHqXq
Name 3-(4-Chlorophenyl)-4,5-diphenyl-m-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/c1-20-9-8-14-25(19-20)31-27(22-12-6-3-7-13-22)26(21-10-4-2-5-11-21)30(28(31)32)24-17-15-23(29)16-18-24/h2-19H,1H3
InChIKey IQBPLUAHFYCASU-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(Cl)ccc(cc1)N1C(N(C(=C1c1ccccc1)c1ccccc1)c1cc(ccc1)C)=S
SPLASH splash10-0udi-0300900000-299f946b06f20aed0802
Source of Spectrum Y-54-317-4f
Wiley ID 1877830