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ethyl 4-{5-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoate
SpectraBase Compound ID 7rzHZrhi0CY
InChI InChI=1S/C20H18N2O6/c1-4-27-19(25)13-7-5-12(6-8-13)16-10-9-14(28-16)11-15-17(23)21(2)20(26)22(3)18(15)24/h5-11H,4H2,1-3H3
InChIKey PBUADKCDHNJDEU-UHFFFAOYSA-N
Mol Weight 382.37 g/mol
Molecular Formula C20H18N2O6
Exact Mass 382.116486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FR7ON3cbBod
Name Ethyl 4-{5-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoate
Comments Computed using HOSE algorithm
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Exact Mass 382.116486302 u
Formula C20H18N2O6
InChI InChI=1S/C20H18N2O6/c1-4-27-19(25)13-7-5-12(6-8-13)16-10-9-14(28-16)11-15-17(23)21(2)20(26)22(3)18(15)24/h5-11H,4H2,1-3H3
InChIKey PBUADKCDHNJDEU-UHFFFAOYSA-N
Molecular Weight 382.372 g/mol
SMILES C1(C(N(C)C(N(C1=O)C)=O)=O)=CC=1OC(C=2C=CC(C(=O)OCC)=CC2)=CC1