3-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]benzoic acid

SpectraBase Compound ID	9Ceni3PAQcv
InChI	InChI=1S/C12H8N2O5/c15-9-8(10(16)14-12(19)13-9)5-6-2-1-3-7(4-6)11(17)18/h1-5H,(H,17,18)(H2,13,14,15,16,19)
InChIKey	PXXBCQZTMQYSLS-UHFFFAOYSA-N Google Search
Mol Weight	260.2 g/mol
Molecular Formula	C12H8N2O5
Exact Mass	260.043321 g/mol

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SpectraBase Spectrum ID	F0AuaHLiRuo
Name	3-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]benzoic acid
Alternate Name(s)	3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid 3-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]benzoic acid 3-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]benzoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H8N2O5
InChI	InChI=1S/C12H8N2O5/c15-9-8(10(16)14-12(19)13-9)5-6-2-1-3-7(4-6)11(17)18/h1-5H,(H,17,18)(H2,13,14,15,16,19)
InChIKey	PXXBCQZTMQYSLS-UHFFFAOYSA-N
Molecular Weight	260.205 g/mol
SMILES	N1C(=O)NC(C(=Cc2cc(C(=O)O)ccc2)C1=O)=O
SPLASH	splash10-03xu-0790000000-20c2d58c433d38675a5d
Source of Spectrum	HC-20-797-0
Wiley ID	1263303