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2-(Benzylsulfanyl)-4-methyl-6-phenylnicotinonitrile
SpectraBase Compound ID 6xKYlW1fXyY
InChI InChI=1S/C20H16N2S/c1-15-12-19(17-10-6-3-7-11-17)22-20(18(15)13-21)23-14-16-8-4-2-5-9-16/h2-12H,14H2,1H3
InChIKey KDKGFTOVSZSDHN-UHFFFAOYSA-N
Mol Weight 316.42 g/mol
Molecular Formula C20H16N2S
Exact Mass 316.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUbeu1oZyZp
Name 2-(Benzylsulfanyl)-4-methyl-6-phenylnicotinonitrile
Alternate Name(s) 2-(benzylthio)-4-methyl-6-phenyl-nicotinonitrile 2-Benzylsulfanyl-4-methyl-6-phenyl-pyridine-3-carbonitrile 4-Methyl-6-phenyl-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile 4-Methyl-6-phenyl-2-(phenylmethylthio)-3-pyridinecarbonitrile Pyridine-3-carbonitrile, 2-benzylthio-4-methyl-6-phenyl-
CAS Registry Number 309732-46-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2S
InChI InChI=1S/C20H16N2S/c1-15-12-19(17-10-6-3-7-11-17)22-20(18(15)13-21)23-14-16-8-4-2-5-9-16/h2-12H,14H2,1H3
InChIKey KDKGFTOVSZSDHN-UHFFFAOYSA-N
Molecular Weight 316.422 g/mol
SMILES c1(c(c(C)cc(n1)-c1ccccc1)C#N)SCc1ccccc1
SPLASH splash10-00kf-9321000000-a74bf5d3bcb74f8c8ca7
Source of Spectrum AD-0-2532-0
Wiley ID 1429353