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Cyclopentyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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Cyclopentyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID BDLLr6hv1ej
InChI InChI=1S/C18H22N2O3/c1-11-7-9-13(10-8-11)16-15(12(2)19-18(22)20-16)17(21)23-14-5-3-4-6-14/h7-10,14,16H,3-6H2,1-2H3,(H2,19,20,22)
InChIKey BJSUMLMDSZHURD-UHFFFAOYSA-N
Mol Weight 314.38 g/mol
Molecular Formula C18H22N2O3
Exact Mass 314.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXYG7iv2nSQ
Name Cyclopentyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 314.163042573 u
Formula C18H22N2O3
InChI InChI=1S/C18H22N2O3/c1-11-7-9-13(10-8-11)16-15(12(2)19-18(22)20-16)17(21)23-14-5-3-4-6-14/h7-10,14,16H,3-6H2,1-2H3,(H2,19,20,22)
InChIKey BJSUMLMDSZHURD-UHFFFAOYSA-N
SMILES N1C(NC(C(=C1C)C(OC1CCCC1)=O)C=1C=CC(C)=CC1)=O