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4,6-Dimethyl-5-phenacyl-2-(phenacylthio)-3-pyridinecarbonitrile

View entire compound with spectra: 1 MS (GC)

4,6-Dimethyl-5-phenacyl-2-(phenacylthio)-3-pyridinecarbonitrile
SpectraBase Compound ID DFqc9C6faTZ
InChI InChI=1S/C24H20N2O2S/c1-16-20(13-22(27)18-9-5-3-6-10-18)17(2)26-24(21(16)14-25)29-15-23(28)19-11-7-4-8-12-19/h3-12H,13,15H2,1-2H3
InChIKey KJFSXPMKEYQRHM-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H20N2O2S
Exact Mass 400.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRsUB3AMEi0
Name 4,6-Dimethyl-5-phenacyl-2-(phenacylthio)-3-pyridinecarbonitrile
Alternate Name(s) 4,6-Dimethyl-5-phenacyl-2-(phenacylthio)nicotinonitrile 4,6-Dimethyl-5-phenacyl-2-phenacylsulfanyl-pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20N2O2S
InChI InChI=1S/C24H20N2O2S/c1-16-20(13-22(27)18-9-5-3-6-10-18)17(2)26-24(21(16)14-25)29-15-23(28)19-11-7-4-8-12-19/h3-12H,13,15H2,1-2H3
InChIKey KJFSXPMKEYQRHM-UHFFFAOYSA-N
Molecular Weight 400.496 g/mol
SMILES c1ccc(cc1)C(CSc1nc(c(c(c1C#N)C)CC(=O)c1ccccc1)C)=O
SPLASH splash10-0a6r-9810000000-cb9baa8e340b90bcf0e1
Wiley ID 1454109