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5-Acetyl-2-benzylsulfanyl-6-methyl-nicotinonitrile
SpectraBase Compound ID CUdVqAlItJQ
InChI InChI=1S/C16H14N2OS/c1-11-15(12(2)19)8-14(9-17)16(18-11)20-10-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3
InChIKey FDMKMPPVHACAIP-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 1mDXECpBPlx
Name 5-Acetyl-2-benzylsulfanyl-6-methyl-nicotinonitrile
Alternate Name(s) 5-Acetyl-2-(benzylthio)-6-methyl-nicotinonitrile 5-Acetyl-2-benzylsulfanyl-6-methyl-pyridine-3-carbonitrile 5-Acetyl-6-methyl-2-(phenylmethylthio)-3-pyridinecarbonitrile 5-Ethanoyl-6-methyl-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile
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Formula C16H14N2OS
InChI InChI=1S/C16H14N2OS/c1-11-15(12(2)19)8-14(9-17)16(18-11)20-10-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3
InChIKey FDMKMPPVHACAIP-UHFFFAOYSA-N
Molecular Weight 282.361 g/mol
SMILES c1(c(nc(c(c1)C(=O)C)C)SCc1ccccc1)C#N
SPLASH splash10-0006-9130000000-7cf33ad77a169b0fb7fd
Wiley ID 1460987