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3-(2,4-diketopyrimidin-1-yl)butyric acid ethyl ester
SpectraBase Compound ID Ix5zE7GdiVD
InChI InChI=1S/C10H14N2O4/c1-3-16-9(14)6-7(2)12-5-4-8(13)11-10(12)15/h4-5,7H,3,6H2,1-2H3,(H,11,13,15)
InChIKey QKVVSLVWWWOWHV-UHFFFAOYSA-N
Mol Weight 226.23 g/mol
Molecular Formula C10H14N2O4
Exact Mass 226.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iWlTG1LMJ6
Name 3-(2,4-diketopyrimidin-1-yl)butyric acid ethyl ester
Alternate Name(s) 3-(2,4-dioxo-1-pyrimidinyl)butanoic acid ethyl ester Ethyl 3-(2,4-dioxopyrimidin-1-yl)butanoate Ethyl 3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]butanoate
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Formula C10H14N2O4
InChI InChI=1S/C10H14N2O4/c1-3-16-9(14)6-7(2)12-5-4-8(13)11-10(12)15/h4-5,7H,3,6H2,1-2H3,(H,11,13,15)
InChIKey QKVVSLVWWWOWHV-UHFFFAOYSA-N
Molecular Weight 226.232 g/mol
SMILES N1C(C=CN(C1=O)C(CC(=O)OCC)C)=O
SPLASH splash10-00mn-9310000000-663013a33758d0b3a948
Source of Spectrum C5-2005-422-1
Wiley ID 1617994