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Pyridine-3-carboxylic acid, 1,2,3,4-tetrahydro-5-cyano-4-(2-ethoxyphenyl)-6-mercapto-2-oxo-, methyl ester
SpectraBase Compound ID CI6Ga5ulZLr
InChI InChI=1S/C16H16N2O4S/c1-3-22-11-7-5-4-6-9(11)12-10(8-17)15(23)18-14(19)13(12)16(20)21-2/h4-7,12-13,23H,3H2,1-2H3,(H,18,19)
InChIKey XOZPMVQVWPEEBG-UHFFFAOYSA-N
Mol Weight 332.37 g/mol
Molecular Formula C16H16N2O4S
Exact Mass 332.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OmuXjJM3JB
Name Pyridine-3-carboxylic acid, 1,2,3,4-tetrahydro-5-cyano-4-(2-ethoxyphenyl)-6-mercapto-2-oxo-, methyl ester
Alternate Name(s) 5-cyano-2-keto-6-mercapto-4-o-phenetyl-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester 5-cyano-4-(2-ethoxyphenyl)-6-mercapto-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Methyl 5-cyano-4-(2-ethoxyphenyl)-2-oxidanylidene-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Methyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-1,2,3,4-tetrahydro-3-pyridinecarboxylate Methyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate
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Formula C16H16N2O4S
InChI InChI=1S/C16H16N2O4S/c1-3-22-11-7-5-4-6-9(11)12-10(8-17)15(23)18-14(19)13(12)16(20)21-2/h4-7,12-13,23H,3H2,1-2H3,(H,18,19)
InChIKey XOZPMVQVWPEEBG-UHFFFAOYSA-N
Molecular Weight 332.374 g/mol
SMILES N1C(C(C(C(=C1S)C#N)c1c(OCC)cccc1)C(=O)OC)=O
SPLASH splash10-006x-9610000000-795e14c06776d1f48d8b
Source of Spectrum AD-0-2532-0
Wiley ID 1429541