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2-(6-keto-3H-purin-9-yl)acetic acid
SpectraBase Compound ID 98FX2q71hJS
InChI InChI=1S/C7H6N4O3/c12-4(13)1-11-3-10-5-6(11)8-2-9-7(5)14/h2-3H,1H2,(H,12,13)(H,8,9,14)
InChIKey UAPMVQVCHTYAII-UHFFFAOYSA-N
Mol Weight 194.15 g/mol
Molecular Formula C7H6N4O3
Exact Mass 194.04399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Je4xgg1idFC
Name 2-(6-keto-3H-purin-9-yl)acetic acid
CAS Registry Number 6298-53-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N4O3
InChI InChI=1S/C7H6N4O3/c12-4(13)1-11-3-10-5-6(11)8-2-9-7(5)14/h2-3H,1H2,(H,12,13)(H,8,9,14)
InChIKey UAPMVQVCHTYAII-UHFFFAOYSA-N
Molecular Weight 194.150 g/mol
SMILES OC(C[n]1c2c(C(NC=N2)=O)nc1)=O
SPLASH splash10-0006-9000000000-2f1e198e5f52164ab5ad
Source of Spectrum AD-0-2532-0
Synonyms 2-(6-oxidanylidene-3H-purin-9-yl)ethanoic acid 2-(6-oxo-3H-purin-9-yl)acetic acid
Wiley ID 1430324