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3-(4-Chlorobenzoyl)-1-(4-methoxyphenyl)-4,6-diphenyl-2(1H)-pyridinethione
SpectraBase Compound ID 2YkeSasyQ8b
InChI InChI=1S/C31H22ClNO2S/c1-35-26-18-16-25(17-19-26)33-28(22-10-6-3-7-11-22)20-27(21-8-4-2-5-9-21)29(31(33)36)30(34)23-12-14-24(32)15-13-23/h2-20H,1H3
InChIKey IGGZOQWITLNFEU-UHFFFAOYSA-N
Mol Weight 508.04 g/mol
Molecular Formula C31H22ClNO2S
Exact Mass 507.105978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPgm9bgbwy4
Name 3-(4-Chlorobenzoyl)-1-(4-methoxyphenyl)-4,6-diphenyl-2(1H)-pyridinethione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H22ClNO2S
InChI InChI=1S/C31H22ClNO2S/c1-35-26-18-16-25(17-19-26)33-28(22-10-6-3-7-11-22)20-27(21-8-4-2-5-9-21)29(31(33)36)30(34)23-12-14-24(32)15-13-23/h2-20H,1H3
InChIKey IGGZOQWITLNFEU-UHFFFAOYSA-N
Molecular Weight 508.035 g/mol
SMILES C1(C(=C(C=C(N1c1ccc(cc1)OC)c1ccccc1)c1ccccc1)C(c1ccc(cc1)Cl)=O)=S
SPLASH splash10-0a6r-0000960000-1dd5e2419f110d2dc818
Source of Spectrum SO-0-956-9
Synonyms (4-chlorophenyl)[1-(4-methoxyphenyl)-4,6-diphenyl-2-thioxo-1,2-dihydro-3-pyridinyl]methanone
Wiley ID 1539015