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benzoic acid, 4-[[(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]-
SpectraBase Compound ID IKlWFsR7MkD
InChI InChI=1S/C12H9N3O5/c16-9-8(10(17)15-12(20)14-9)5-13-7-3-1-6(2-4-7)11(18)19/h1-5,13H,(H,18,19)(H2,14,15,16,17,20)
InChIKey WKMSWSXXPPWILC-UHFFFAOYSA-N
Mol Weight 275.22 g/mol
Molecular Formula C12H9N3O5
Exact Mass 275.05422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93xpZW6fBm6
Name 4-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methylamino]benzoic acid
Alternate Name(s) 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoic acid 4-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methylamino]benzoic acid 4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]benzoic acid
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Formula C12H9N3O5
InChI InChI=1S/C12H9N3O5/c16-9-8(10(17)15-12(20)14-9)5-13-7-3-1-6(2-4-7)11(18)19/h1-5,13H,(H,18,19)(H2,14,15,16,17,20)
InChIKey WKMSWSXXPPWILC-UHFFFAOYSA-N
Molecular Weight 275.220 g/mol
SMILES N1C(NC(C(=CNc2ccc(C(=O)O)cc2)C1=O)=O)=O
SPLASH splash10-0006-8950000000-3cfb33647f1811589dc3
Wiley ID 1464837