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2-(2,4,6-triketo-3-methyl-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetic acid
SpectraBase Compound ID CyJ3LSuCCIq
InChI InChI=1S/C9H9N3O5/c1-12-8(16)5-3(2-4(13)14)7(15)10-6(5)11-9(12)17/h3H,2H2,1H3,(H,10,15)(H,11,17)(H,13,14)
InChIKey RIFPQGALLABDQL-UHFFFAOYSA-N
Mol Weight 239.19 g/mol
Molecular Formula C9H9N3O5
Exact Mass 239.05422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXuTWzViOoc
Name 2-(2,4,6-triketo-3-methyl-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetic acid
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Formula C9H9N3O5
InChI InChI=1S/C9H9N3O5/c1-12-8(16)5-3(2-4(13)14)7(15)10-6(5)11-9(12)17/h3H,2H2,1H3,(H,10,15)(H,11,17)(H,13,14)
InChIKey RIFPQGALLABDQL-UHFFFAOYSA-N
Molecular Weight 239.187 g/mol
SMILES N1C(N(C(C=2C(CC(=O)O)C(=O)NC12)=O)C)=O
SPLASH splash10-0002-9200000000-81e0d957fdec0d0930b7
Source of Spectrum F-54-5760-3
Synonyms 2-(3-Methyl-2,4,6-trioxo-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetic acid 2-[3-methyl-2,4,6-tris(oxidanylidene)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanoic acid
Wiley ID 807169