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Ethyl 4-(2-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID BMq8IGoEY1X
InChI InChI=1S/C25H27N3O7/c1-4-33-23(30)16-10-12-17(13-11-16)27-20(29)14-35-19-9-7-6-8-18(19)22-21(24(31)34-5-2)15(3)26-25(32)28-22/h6-13,22H,4-5,14H2,1-3H3,(H,27,29)(H2,26,28,32)
InChIKey JAUKUAXSPGRUBD-UHFFFAOYSA-N
Mol Weight 481.51 g/mol
Molecular Formula C25H27N3O7
Exact Mass 481.1849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LJFepT07HD
Name Ethyl 4-(2-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 481.184900214 u
Formula C25H27N3O7
InChI InChI=1S/C25H27N3O7/c1-4-33-23(30)16-10-12-17(13-11-16)27-20(29)14-35-19-9-7-6-8-18(19)22-21(24(31)34-5-2)15(3)26-25(32)28-22/h6-13,22H,4-5,14H2,1-3H3,(H,27,29)(H2,26,28,32)
InChIKey JAUKUAXSPGRUBD-UHFFFAOYSA-N
Molecular Weight 481.505 g/mol
SMILES N(C(COC=1C(C2C(=C(NC(=O)N2)C)C(=O)OCC)=CC=CC1)=O)C=1C=CC(C(=O)OCC)=CC1