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2-[(3,5-dicyano-2-keto-4,4-dimethyl-1,3-dihydropyridin-6-yl)thio]acetic acid ethyl ester
SpectraBase Compound ID ByNwCiMQSGb
InChI InChI=1S/C13H15N3O3S/c1-4-19-10(17)7-20-12-9(6-15)13(2,3)8(5-14)11(18)16-12/h8H,4,7H2,1-3H3,(H,16,18)
InChIKey WQVQFGAGAQJFMM-UHFFFAOYSA-N
Mol Weight 293.34 g/mol
Molecular Formula C13H15N3O3S
Exact Mass 293.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IynL9mba6Q1
Name 2-[(3,5-dicyano-2-keto-4,4-dimethyl-1,3-dihydropyridin-6-yl)thio]acetic acid ethyl ester
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Formula C13H15N3O3S
InChI InChI=1S/C13H15N3O3S/c1-4-19-10(17)7-20-12-9(6-15)13(2,3)8(5-14)11(18)16-12/h8H,4,7H2,1-3H3,(H,16,18)
InChIKey WQVQFGAGAQJFMM-UHFFFAOYSA-N
Molecular Weight 293.341 g/mol
SMILES N1C(C(C(C(=C1SCC(=O)OCC)C#N)(C)C)C#N)=O
SPLASH splash10-0kal-6980000000-cf86467feb85879baa0c
Synonyms 2-[(3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl)thio]acetic acid ethyl ester Ethyl 2-[(3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl)sulfanyl]ethanoate Ethyl 2-[(3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl)sulfanyl]acetate
Wiley ID 1453322