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Benzyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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Benzyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID F9OOBXQZk6f
InChI InChI=1S/C22H24N2O4/c1-3-13-27-18-11-9-17(10-12-18)20-19(15(2)23-22(26)24-20)21(25)28-14-16-7-5-4-6-8-16/h4-12,20H,3,13-14H2,1-2H3,(H2,23,24,26)
InChIKey IQVYDMBOVNTBRQ-UHFFFAOYSA-N
Mol Weight 380.44 g/mol
Molecular Formula C22H24N2O4
Exact Mass 380.173607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 12ahZKNRJyJ
Name Benzyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 380.173607257 u
Formula C22H24N2O4
InChI InChI=1S/C22H24N2O4/c1-3-13-27-18-11-9-17(10-12-18)20-19(15(2)23-22(26)24-20)21(25)28-14-16-7-5-4-6-8-16/h4-12,20H,3,13-14H2,1-2H3,(H2,23,24,26)
InChIKey IQVYDMBOVNTBRQ-UHFFFAOYSA-N
Molecular Weight 380.444 g/mol
SMILES N1C(NC(C(=C1C)C(OCC1=CC=CC=C1)=O)C1=CC=C(C=C1)OCCC)=O