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Methyl 4-[2-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID 9k0d7aWEDg8
InChI InChI=1S/C20H20N2O4/c1-13-17(19(23)25-2)18(22-20(24)21-13)15-10-6-7-11-16(15)26-12-14-8-4-3-5-9-14/h3-11,18H,12H2,1-2H3,(H2,21,22,24)
InChIKey VDAZDZQPLYNCAA-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C20H20N2O4
Exact Mass 352.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fjY7dksa2l
Name Methyl 4-[2-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 352.142307128 u
Formula C20H20N2O4
InChI InChI=1S/C20H20N2O4/c1-13-17(19(23)25-2)18(22-20(24)21-13)15-10-6-7-11-16(15)26-12-14-8-4-3-5-9-14/h3-11,18H,12H2,1-2H3,(H2,21,22,24)
InChIKey VDAZDZQPLYNCAA-UHFFFAOYSA-N
Molecular Weight 352.390 g/mol
SMILES N1C(NC(=C(C1C=1C(OCC2=CC=CC=C2)=CC=CC1)C(=O)OC)C)=O