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Benzoic acid, 2-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-, methyl ester
SpectraBase Compound ID 9OKc8qo2vly
InChI InChI=1S/C12H11N3O3/c1-18-11(16)8-4-2-3-5-9(8)14-10-6-7-13-12(17)15-10/h2-7H,1H3,(H2,13,14,15,17)
InChIKey LHGSUPXWFPQUBU-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 CvtZsqwLR9q
Name Benzoic acid, 2-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-, methyl ester
Alternate Name(s) Methyl 2-[(2-oxo-1,2-dihydro-4-pyrimidinyl)amino]benzoate 2-[(2-oxo-1H-pyrimidin-6-yl)amino]benzoic acid methyl ester Methyl 2-[(2-oxo-1H-pyrimidin-6-yl)amino]benzoate Methyl 2-[(2-oxidanylidene-1H-pyrimidin-6-yl)amino]benzoate
CAS Registry Number 145820-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O3
InChI InChI=1S/C12H11N3O3/c1-18-11(16)8-4-2-3-5-9(8)14-10-6-7-13-12(17)15-10/h2-7H,1H3,(H2,13,14,15,17)
InChIKey LHGSUPXWFPQUBU-UHFFFAOYSA-N
Molecular Weight 245.238 g/mol
SMILES N1C=CC(=NC1=O)Nc1c(C(=O)OC)cccc1
SPLASH splash10-000j-0890000000-8370bdb44c1eb35633bb
Source of Spectrum O-27-1293-0
Wiley ID 1247875