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2-[(2-Oxo-1,2-dihydro-4-pyrimidinyl)amino]benzoic acid
SpectraBase Compound ID Eq2gQV6PodZ
InChI InChI=1S/C11H9N3O3/c15-10(16)7-3-1-2-4-8(7)13-9-5-6-12-11(17)14-9/h1-6H,(H,15,16)(H2,12,13,14,17)
InChIKey HJJGYHLYCNVHNR-UHFFFAOYSA-N
Mol Weight 231.21 g/mol
Molecular Formula C11H9N3O3
Exact Mass 231.064391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KMfVa1kjXS
Name 2-[(2-Oxo-1,2-dihydro-4-pyrimidinyl)amino]benzoic acid
CAS Registry Number 64988-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N3O3
InChI InChI=1S/C11H9N3O3/c15-10(16)7-3-1-2-4-8(7)13-9-5-6-12-11(17)14-9/h1-6H,(H,15,16)(H2,12,13,14,17)
InChIKey HJJGYHLYCNVHNR-UHFFFAOYSA-N
Molecular Weight 231.211 g/mol
SMILES N1C=CC(=NC1=O)Nc1c(C(=O)O)cccc1
SPLASH splash10-01p9-0890000000-1e6720c83ebde7bd72d0
Source of Spectrum O-27-1293-0
Synonyms Benzoic acid, 2-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]- 2-[(2-oxo-1H-pyrimidin-6-yl)amino]benzoic acid 2-[(2-oxidanylidene-1H-pyrimidin-6-yl)amino]benzoic acid
Wiley ID 1232595