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3-METHOXYCARBONYLMETHYLPTERIDINE-2,4(1H,3H)-DIONE
SpectraBase Compound ID 2PoU9eiDsWJ
InChI InChI=1S/C9H8N4O4/c1-17-5(14)4-13-8(15)6-7(12-9(13)16)11-3-2-10-6/h2-3H,4H2,1H3,(H,11,12,16)
InChIKey OWXAQAPBNXTCBV-UHFFFAOYSA-N
Mol Weight 236.19 g/mol
Molecular Formula C9H8N4O4
Exact Mass 236.054555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuVwU5tniKf
Name 2-(2,4-diketo-1H-pteridin-3-yl)acetic acid methyl ester
Alternate Name(s) 2-(2,4-dioxo-1H-pteridin-3-yl)acetic acid methyl ester Methyl 2-(2,4-dioxo-1H-pteridin-3-yl)acetate Methyl 2-[2,4-bis(oxidanylidene)-1H-pteridin-3-yl]ethanoate
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Formula C9H8N4O4
InChI InChI=1S/C9H8N4O4/c1-17-5(14)4-13-8(15)6-7(12-9(13)16)11-3-2-10-6/h2-3H,4H2,1H3,(H,11,12,16)
InChIKey OWXAQAPBNXTCBV-UHFFFAOYSA-N
Molecular Weight 236.187 g/mol
SMILES N1c2c(C(N(C1=O)CC(=O)OC)=O)nccn2
SPLASH splash10-0fg2-0950000000-edad048e83f9aa418dda
Source of Spectrum KC-0-2283-9
Wiley ID 825901