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(3-Cyano-4-methoxymethyl-6-methyl-pyridin-2-ylsulfanyl)-acetic acid phenyl ester
SpectraBase Compound ID JVToVr1cdlH
InChI InChI=1S/C17H16N2O3S/c1-12-8-13(10-21-2)15(9-18)17(19-12)23-11-16(20)22-14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3
InChIKey RXTPKFVAMSEKLT-UHFFFAOYSA-N
Mol Weight 328.39 g/mol
Molecular Formula C17H16N2O3S
Exact Mass 328.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJnuVeIWzxl
Name (3-Cyano-4-methoxymethyl-6-methyl-pyridin-2-ylsulfanyl)-acetic acid phenyl ester
Alternate Name(s) 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]acetic acid phenyl ester 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]acetic acid phenyl ester phenyl 2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanylethanoate phenyl 2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylacetate phenyl 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]acetate
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Formula C17H16N2O3S
InChI InChI=1S/C17H16N2O3S/c1-12-8-13(10-21-2)15(9-18)17(19-12)23-11-16(20)22-14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3
InChIKey RXTPKFVAMSEKLT-UHFFFAOYSA-N
Molecular Weight 328.386 g/mol
SMILES c1(c(nc(cc1COC)C)SCC(Oc1ccccc1)=O)C#N
SPLASH splash10-052r-6490000000-5baec30ad3035aeea645
Wiley ID 1466573