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Pentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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Pentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID 2DrtgzT3xsM
InChI InChI=1S/C17H21ClN2O3/c1-3-4-5-10-23-16(21)14-11(2)19-17(22)20-15(14)12-6-8-13(18)9-7-12/h6-9,15H,3-5,10H2,1-2H3,(H2,19,20,22)
InChIKey NBKGIFDPUOYUGZ-UHFFFAOYSA-N
Mol Weight 336.82 g/mol
Molecular Formula C17H21ClN2O3
Exact Mass 336.12407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQm4GSR9eEw
Name Pentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 336.124070241 u
Formula C17H21ClN2O3
InChI InChI=1S/C17H21ClN2O3/c1-3-4-5-10-23-16(21)14-11(2)19-17(22)20-15(14)12-6-8-13(18)9-7-12/h6-9,15H,3-5,10H2,1-2H3,(H2,19,20,22)
InChIKey NBKGIFDPUOYUGZ-UHFFFAOYSA-N
Molecular Weight 336.819 g/mol
SMILES N1C(NC(C(=C1C)C(=O)OCCCCC)C=1C=CC(=CC1)Cl)=O