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Dimethyl 2-[N,N'-dimethylbarbituric acid - 5'-yl-5'-ylide]-3-pyridinium-1,4-butanedioate
SpectraBase Compound ID 2JpFLWzR821
InChI InChI=1S/C17H19N3O7/c1-18-13(21)11(14(22)19(2)17(18)25)10(15(23)26-3)12(16(24)27-4)20-8-6-5-7-9-20/h5-10,12H,1-4H3
InChIKey IXGKEPCSKXOIIZ-UHFFFAOYSA-N
Mol Weight 377.35 g/mol
Molecular Formula C17H19N3O7
Exact Mass 377.1223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MCJVszsndp
Name Dimethyl 2-[N,N'-dimethylbarbituric acid - 5'-yl-5'-ylide]-3-pyridinium-1,4-butanedioate
Alternate Name(s) 5-[1,4-dimethoxy-1,4-dioxo-3-(1-pyridin-1-iumyl)butan-2-yl]-1,3-dimethyl-2,6-dioxo-4-pyrimidinolate 5-(1,4-dimethoxy-1,4-dioxo-3-pyridin-1-ium-1-ylbutan-2-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate 5-(3-Methoxy-1-methoxycarbonyl-3-oxo-2-pyridin-1-ium-1-yl-propyl)-1,3-dimethyl-2,6-dioxo-pyrimidin-4-olate 5-[1,4-dimethoxy-1,4-bis(oxidanylidene)-3-pyridin-1-ium-1-yl-butan-2-yl]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-olate
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Formula C17H19N3O7
InChI InChI=1S/C17H19N3O7/c1-18-13(21)11(14(22)19(2)17(18)25)10(15(23)26-3)12(16(24)27-4)20-8-6-5-7-9-20/h5-10,12H,1-4H3
InChIKey IXGKEPCSKXOIIZ-UHFFFAOYSA-N
Molecular Weight 377.353 g/mol
SMILES [C-]1(C(N(C)C(N(C1=O)C)=O)=O)C(C([n+]1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-0fb9-9230000000-22b60e6ccdb7001dac7a
Source of Spectrum AH-133-1334-8
Wiley ID 1546752