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4,6-Dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]nicotinonitrile
SpectraBase Compound ID JmWHgG4l9Ui
InChI InChI=1S/C16H14N2OS/c1-11-8-12(2)18-16(14(11)9-17)20-10-15(19)13-6-4-3-5-7-13/h3-8H,10H2,1-2H3
InChIKey IBTOKBFICVBTAK-UHFFFAOYSA-N
Mol Weight 282.36 g/mol
Molecular Formula C16H14N2OS
Exact Mass 282.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0oCmchzf5U
Name 4,6-Dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]nicotinonitrile
Alternate Name(s) 4,6-Dimethyl-2-(phenacylthio)-3-pyridinecarbonitrile 4,6-Dimethyl-2-(phenacylthio)nicotinonitrile 4,6-Dimethyl-2-phenacylsulfanyl-pyridine-3-carbonitrile Pyridine-3-carbonitrile, 4,6-dimethyl-2-(2-oxo-2-phenylethylthio)-
CAS Registry Number 72456-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2OS
InChI InChI=1S/C16H14N2OS/c1-11-8-12(2)18-16(14(11)9-17)20-10-15(19)13-6-4-3-5-7-13/h3-8H,10H2,1-2H3
InChIKey IBTOKBFICVBTAK-UHFFFAOYSA-N
Molecular Weight 282.361 g/mol
SMILES C(Sc1nc(cc(c1C#N)C)C)C(c1ccccc1)=O
SPLASH splash10-0a6r-8900000000-335ac004cb197e51eea0
Source of Spectrum AD-0-2532-0
Wiley ID 1425366