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Butanoic acid, 3-oxo-4-[4-(3-pyridyl)-2-pyrimidylthio]-, ethyl ester
SpectraBase Compound ID EemtKOGxE7T
InChI InChI=1S/C15H15N3O3S/c1-2-21-14(20)8-12(19)10-22-15-17-7-5-13(18-15)11-4-3-6-16-9-11/h3-7,9H,2,8,10H2,1H3
InChIKey PDCVCHAAMZDQSN-UHFFFAOYSA-N
Mol Weight 317.36 g/mol
Molecular Formula C15H15N3O3S
Exact Mass 317.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7Joj6j6X4U
Name Butanoic acid, 3-oxo-4-[4-(3-pyridyl)-2-pyrimidylthio]-, ethyl ester
Alternate Name(s) 3-keto-4-[[4-(3-pyridyl)pyrimidin-2-yl]thio]butyric acid ethyl ester 3-Oxo-4-[[4-(3-pyridinyl)-2-pyrimidinyl]thio]butanoic acid ethyl ester Ethyl 3-oxidanylidene-4-(4-pyridin-3-ylpyrimidin-2-yl)sulfanyl-butanoate Ethyl 3-oxo-4-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylbutanoate Ethyl 3-oxo-4-([4-(3-pyridinyl)-2-pyrimidinyl]sulfanyl)butanoate Ethyl 3-oxo-4-[4-(3-pyridyl)pyrimidin-2-yl]sulfanyl-butanoate
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Formula C15H15N3O3S
InChI InChI=1S/C15H15N3O3S/c1-2-21-14(20)8-12(19)10-22-15-17-7-5-13(18-15)11-4-3-6-16-9-11/h3-7,9H,2,8,10H2,1H3
InChIKey PDCVCHAAMZDQSN-UHFFFAOYSA-N
Molecular Weight 317.363 g/mol
SMILES CCOC(CC(CSc1nc(-c2cnccc2)ccn1)=O)=O
SPLASH splash10-0udi-9570000000-3a3ec82e0881578437bd
Source of Spectrum AD-0-2532-0
Wiley ID 1430794