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2,4-bis(oxidanylidene)-3-(phenylmethyl)-1H-pyrimidine-6-carboxylic acid
SpectraBase Compound ID JeXwbwMmDag
InChI InChI=1S/C12H10N2O4/c15-10-6-9(11(16)17)13-12(18)14(10)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,18)(H,16,17)
InChIKey FJAAYOFUHKCFAM-UHFFFAOYSA-N
Mol Weight 246.22 g/mol
Molecular Formula C12H10N2O4
Exact Mass 246.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49heQl7SFZo
Name 2,4-bis(oxidanylidene)-3-(phenylmethyl)-1H-pyrimidine-6-carboxylic acid
CAS Registry Number 5971-86-8
Comments Less than 3 mono-isotopic peaks
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Formula C12H10N2O4
InChI InChI=1S/C12H10N2O4/c15-10-6-9(11(16)17)13-12(18)14(10)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,18)(H,16,17)
InChIKey FJAAYOFUHKCFAM-UHFFFAOYSA-N
Molecular Weight 246.222 g/mol
SMILES N1C(C(=O)O)=CC(N(C1=O)Cc1ccccc1)=O
SPLASH splash10-052b-0890000000-b758ac2ee533c3e6b8a9
Source of Spectrum J-54-1068-25
Synonyms 2,4-dioxo-3-(phenylmethyl)-1H-pyrimidine-6-carboxylic acid 3-benzyl-2,4-diketo-1H-pyrimidine-6-carboxylic acid 3-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Wiley ID 1248627