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5-(2-propenyl)-5-(1-methyl-3-(methoxycarbonyl)propyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 88gsxo8f84c
InChI InChI=1S/C13H18N2O5/c1-4-7-13(8(2)5-6-9(16)20-3)10(17)14-12(19)15-11(13)18/h4,8H,1,5-7H2,2-3H3,(H2,14,15,17,18,19)
InChIKey WXNBTDYJYHMGAG-UHFFFAOYSA-N
Mol Weight 282.3 g/mol
Molecular Formula C13H18N2O5
Exact Mass 282.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXaB5H82EQG
Name 5-(2-propenyl)-5-(1-methyl-3-(methoxycarbonyl)propyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Alternate Name(s) 5-(2-propenyl)-5-(4-(methoxycarbonyl)but-2-yl)barbituric acid Methyl 4-(5-allyl-2,4,6-trioxohexahydro-5-pyrimidinyl)pentanoate
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Formula C13H18N2O5
InChI InChI=1S/C13H18N2O5/c1-4-7-13(8(2)5-6-9(16)20-3)10(17)14-12(19)15-11(13)18/h4,8H,1,5-7H2,2-3H3,(H2,14,15,17,18,19)
InChIKey WXNBTDYJYHMGAG-UHFFFAOYSA-N
Molecular Weight 282.296 g/mol
SMILES N1C(C(C(NC1=O)=O)(C(CCC(=O)OC)C)CC=C)=O
SPLASH splash10-0532-4930000000-4b30a02c94259916e2b1
Source of Spectrum CJ-1992-0-0
Wiley ID 1285494