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{4-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid

View entire compound with spectra: 3 NMR

{4-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
SpectraBase Compound ID HVYtDQSZwlf
InChI InChI=1S/C13H10N2O6/c16-10(17)6-21-8-3-1-7(2-4-8)5-9-11(18)14-13(20)15-12(9)19/h1-5H,6H2,(H,16,17)(H2,14,15,18,19,20)
InChIKey LGEXHBQSTDPORT-UHFFFAOYSA-N
Mol Weight 290.23 g/mol
Molecular Formula C13H10N2O6
Exact Mass 290.053886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Q5ApgBc0gk
Name {4-[(2,4,6-Trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
Comments Computed using HOSE algorithm
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Exact Mass 290.053886044 u
Formula C13H10N2O6
InChI InChI=1S/C13H10N2O6/c16-10(17)6-21-8-3-1-7(2-4-8)5-9-11(18)14-13(20)15-12(9)19/h1-5H,6H2,(H,16,17)(H2,14,15,18,19,20)
InChIKey LGEXHBQSTDPORT-UHFFFAOYSA-N
Molecular Weight 290.231 g/mol
SMILES N1C(NC(C(=CC=2C=CC(OCC(=O)O)=CC2)C1=O)=O)=O