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2-[4-(4-Fluoro-phenyl)-4-oxo-butylsulfanyl]-4-methoxymethyl-6-methyl-nicotinonitrile
SpectraBase Compound ID 6bjqUoDItIB
InChI InChI=1S/C19H19FN2O2S/c1-13-10-15(12-24-2)17(11-21)19(22-13)25-9-3-4-18(23)14-5-7-16(20)8-6-14/h5-8,10H,3-4,9,12H2,1-2H3
InChIKey CFVSPZCYUBBRIU-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C19H19FN2O2S
Exact Mass 358.115127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLhleh6skCF
Name 2-[4-(4-Fluoro-phenyl)-4-oxo-butylsulfanyl]-4-methoxymethyl-6-methyl-nicotinonitrile
Alternate Name(s) 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile 2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile 2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-4-(methoxymethyl)-6-methyl-nicotinonitrile 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile
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Formula C19H19FN2O2S
InChI InChI=1S/C19H19FN2O2S/c1-13-10-15(12-24-2)17(11-21)19(22-13)25-9-3-4-18(23)14-5-7-16(20)8-6-14/h5-8,10H,3-4,9,12H2,1-2H3
InChIKey CFVSPZCYUBBRIU-UHFFFAOYSA-N
Molecular Weight 358.431 g/mol
SMILES c1(c(nc(cc1COC)C)SCCCC(c1ccc(cc1)F)=O)C#N
SPLASH splash10-03dm-6900000000-dfda4ffbfec1dbcaeef9
Wiley ID 1464491