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Ethanone, 1-(4-chlorophenyl)-2-[(2-phenyl-4-quinazolinyl)thio]-, N-oxide
SpectraBase Compound ID B8V3Yz87V5r
InChI InChI=1S/C22H15ClN2O2S/c23-17-12-10-15(11-13-17)20(26)14-28-22-18-8-4-5-9-19(18)25(27)21(24-22)16-6-2-1-3-7-16/h1-13H,14H2
InChIKey UHRIUTRPQCPTQK-UHFFFAOYSA-N
Mol Weight 406.89 g/mol
Molecular Formula C22H15ClN2O2S
Exact Mass 406.054277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGjaK1swajd
Name Ethanone, 1-(4-chlorophenyl)-2-[(2-phenyl-4-quinazolinyl)thio]-, N-oxide
CAS Registry Number 87814-22-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15ClN2O2S
InChI InChI=1S/C22H15ClN2O2S/c23-17-12-10-15(11-13-17)20(26)14-28-22-18-8-4-5-9-19(18)25(27)21(24-22)16-6-2-1-3-7-16/h1-13H,14H2
InChIKey UHRIUTRPQCPTQK-UHFFFAOYSA-N
Molecular Weight 406.887 g/mol
SMILES c1([n+](c2c(c(n1)SCC(c1ccc(cc1)Cl)=O)cccc2)[O-])-c1ccccc1
SPLASH splash10-0pdr-5790000000-744d20e5b46e3e539f0b
Source of Spectrum Y-20-985-4
Synonyms 1-(4-Chlorophenyl)-2-[(1-oxido-2-phenyl-4-quinazolinyl)sulfanyl]ethanone 2-Phenyl-4-(4-chloro)phenacylmethylthio-3-quinazolinium N-oxide
Wiley ID 1372106