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Pyridine-3-carbonitrile, 2-(2-cyclopropyl-2-oxoethyl)thio-4-methyl-6-phenyl-
SpectraBase Compound ID GY02MOgJql2
InChI InChI=1S/C18H16N2OS/c1-12-9-16(13-5-3-2-4-6-13)20-18(15(12)10-19)22-11-17(21)14-7-8-14/h2-6,9,14H,7-8,11H2,1H3
InChIKey RTPFYNHSZGIIGA-UHFFFAOYSA-N
Mol Weight 308.4 g/mol
Molecular Formula C18H16N2OS
Exact Mass 308.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9O5UWCs6EIp
Name Pyridine-3-carbonitrile, 2-(2-cyclopropyl-2-oxoethyl)thio-4-methyl-6-phenyl-
Alternate Name(s) 2-(2-cyclopropyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-6-phenyl-pyridine-3-carbonitrile 2-(2-cyclopropyl-2-oxo-ethyl)sulfanyl-4-methyl-6-phenyl-pyridine-3-carbonitrile 2-[(2-cyclopropyl-2-keto-ethyl)thio]-4-methyl-6-phenyl-nicotinonitrile 2-[(2-Cyclopropyl-2-oxoethyl)sulfanyl]-4-methyl-6-phenylnicotinonitrile 2-[(2-cyclopropyl-2-oxoethyl)thio]-4-methyl-6-phenyl-3-pyridinecarbonitrile
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Formula C18H16N2OS
InChI InChI=1S/C18H16N2OS/c1-12-9-16(13-5-3-2-4-6-13)20-18(15(12)10-19)22-11-17(21)14-7-8-14/h2-6,9,14H,7-8,11H2,1H3
InChIKey RTPFYNHSZGIIGA-UHFFFAOYSA-N
Molecular Weight 308.399 g/mol
SMILES c1(c(c(C)cc(n1)-c1ccccc1)C#N)SCC(C1CC1)=O
SPLASH splash10-014u-9261000000-ca77201e2266fda04b59
Source of Spectrum AD-0-2532-0
Wiley ID 1420177