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2-OXO-4-(1,2,3,4-TETRAHYDRO-1,3-DIMETHYL-2,4-DIOXOPYRIMIDIN-5-YL)-PENTANENITRILE
SpectraBase Compound ID FpfGdsElEUB
InChI InChI=1S/C11H13N3O3/c1-7(4-8(15)5-12)9-6-13(2)11(17)14(3)10(9)16/h6-7H,4H2,1-3H3
InChIKey GJZAEAZLVQOIOW-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C11H13N3O3
Exact Mass 235.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNbG6KZW7AL
Name 2-Oxo-4-(1',2',3',4'-tetrahydro-1',3'-dimethyl-2',4'-dioxopyrimidin-5'-yl)pentanenitrile
Alternate Name(s) 4-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxopentanenitrile
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Formula C11H13N3O3
InChI InChI=1S/C11H13N3O3/c1-7(4-8(15)5-12)9-6-13(2)11(17)14(3)10(9)16/h6-7H,4H2,1-3H3
InChIKey GJZAEAZLVQOIOW-UHFFFAOYSA-N
Molecular Weight 235.243 g/mol
SMILES C1(N(C(N(C=C1C(CC(C#N)=O)C)C)=O)C)=O
SPLASH splash10-001i-9300000000-c7dffd3c71e983521c87
Source of Spectrum H-76-1921-6
Wiley ID 1236938