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Isobarbituric acid

View entire compound with spectra: 8 NMR, 4 FTIR, 1 Raman, 1 UV-Vis, and 1 MS (GC)

Isobarbituric acid
SpectraBase Compound ID K7BOhnpj06v
InChI InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)
InChIKey OFJNVANOCZHTMW-UHFFFAOYSA-N
Mol Weight 128.09 g/mol
Molecular Formula C4H4N2O3
Exact Mass 128.022192 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID cY5aOWwV5v
Name Isobarbituric acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number T66702
CAS Registry Number 496-76-4
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H4N2O3
InChI 1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)
InChIKey OFJNVANOCZHTMW-UHFFFAOYSA-N
Observed nucleus 1H
Purity 95%
Solvent D2O & NaOD
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2,4,5-Trihydroxypyrimidine 5-Hydroxyuracil
Wiley ID SIAL_1HNMR_012807