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Benzoic acid, 3-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-, methyl ester
SpectraBase Compound ID GreUaw7VOB4
InChI InChI=1S/C12H11N3O3/c1-18-11(16)8-3-2-4-9(7-8)14-10-5-6-13-12(17)15-10/h2-7H,1H3,(H2,13,14,15,17)
InChIKey KBIGMCYLTXIJBX-UHFFFAOYSA-N
Mol Weight 245.24 g/mol
Molecular Formula C12H11N3O3
Exact Mass 245.080041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qYK6IaRvXa
Name Benzoic acid, 3-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-, methyl ester
CAS Registry Number 145820-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O3
InChI InChI=1S/C12H11N3O3/c1-18-11(16)8-3-2-4-9(7-8)14-10-5-6-13-12(17)15-10/h2-7H,1H3,(H2,13,14,15,17)
InChIKey KBIGMCYLTXIJBX-UHFFFAOYSA-N
Molecular Weight 245.238 g/mol
SMILES N1C=CC(=NC1=O)Nc1cc(C(=O)OC)ccc1
SPLASH splash10-0005-0090000000-37357b4a81ee2edc502d
Source of Spectrum O-27-1293-0
Synonyms Methyl 3-[(2-oxo-1,2-dihydro-4-pyrimidinyl)amino]benzoate 3-[(2-oxo-1H-pyrimidin-6-yl)amino]benzoic acid methyl ester Methyl 3-[(2-oxo-1H-pyrimidin-6-yl)amino]benzoate Methyl 3-[(2-oxidanylidene-1H-pyrimidin-6-yl)amino]benzoate
Wiley ID 1247874