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1-(2-CARBOXYETHYL)-1,3,5-TRIAZINE-2,4,6-TRIONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(2-CARBOXYETHYL)-1,3,5-TRIAZINE-2,4,6-TRIONE
SpectraBase Compound ID ENpe4xJEfqG
InChI InChI=1S/C6H7N3O5/c10-3(11)1-2-9-5(13)7-4(12)8-6(9)14/h1-2H2,(H,10,11)(H2,7,8,12,13,14)
InChIKey JGAOCGFZZBDROL-UHFFFAOYSA-N
Mol Weight 201.14 g/mol
Molecular Formula C6H7N3O5
Exact Mass 201.03857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6ylekUwhFm
Name 3-(2,4,6-triketo-1,3,5-triazinan-1-yl)propionic acid
Alternate Name(s) 3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanoic acid 3-[2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]propanoic acid
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Formula C6H7N3O5
InChI InChI=1S/C6H7N3O5/c10-3(11)1-2-9-5(13)7-4(12)8-6(9)14/h1-2H2,(H,10,11)(H2,7,8,12,13,14)
InChIKey JGAOCGFZZBDROL-UHFFFAOYSA-N
Molecular Weight 201.138 g/mol
SMILES N1C(NC(N(CCC(=O)O)C1=O)=O)=O
SPLASH splash10-0a4i-6900000000-a606cec3d784559b8569
Source of Spectrum QE-5-383-2
Wiley ID 843890