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2-methoxy-4-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzoate
SpectraBase Compound ID GyuRnsOKJE4
InChI InChI=1S/C20H16N2O7/c1-27-13-6-4-12(5-7-13)19(25)29-15-8-3-11(10-16(15)28-2)9-14-17(23)21-20(26)22-18(14)24/h3-10H,1-2H3,(H2,21,22,23,24,26)
InChIKey JFQWMCNEHVCUFW-UHFFFAOYSA-N
Mol Weight 396.36 g/mol
Molecular Formula C20H16N2O7
Exact Mass 396.095751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KovTWkuiNfI
Name 2-Methoxy-4-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzoate
Comments Computed using HOSE algorithm
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Exact Mass 396.095750856 u
Formula C20H16N2O7
InChI InChI=1S/C20H16N2O7/c1-27-13-6-4-12(5-7-13)19(25)29-15-8-3-11(10-16(15)28-2)9-14-17(23)21-20(26)22-18(14)24/h3-10H,1-2H3,(H2,21,22,23,24,26)
InChIKey JFQWMCNEHVCUFW-UHFFFAOYSA-N
Molecular Weight 396.355 g/mol
SMILES N1C(NC(C(C1=O)=CC=1C=C(OC)C(OC(C2=CC=C(C=C2)OC)=O)=CC1)=O)=O