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2-Phenylethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID Gs8lRKaE8Gl
InChI InChI=1S/C20H18Cl2N2O3/c1-12-17(19(25)27-10-9-13-5-3-2-4-6-13)18(24-20(26)23-12)15-8-7-14(21)11-16(15)22/h2-8,11,18H,9-10H2,1H3,(H2,23,24,26)
InChIKey HTEMXPBJDAMLQB-UHFFFAOYSA-N
Mol Weight 405.28 g/mol
Molecular Formula C20H18Cl2N2O3
Exact Mass 404.069448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYfqsi71qdR
Name 2-Phenylethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.069447845 u
Formula C20H18Cl2N2O3
InChI InChI=1S/C20H18Cl2N2O3/c1-12-17(19(25)27-10-9-13-5-3-2-4-6-13)18(24-20(26)23-12)15-8-7-14(21)11-16(15)22/h2-8,11,18H,9-10H2,1H3,(H2,23,24,26)
InChIKey HTEMXPBJDAMLQB-UHFFFAOYSA-N
Molecular Weight 405.281 g/mol
SMILES N1C(NC(=C(C1C=1C(=CC(=CC1)Cl)Cl)C(=O)OCCC1=CC=CC=C1)C)=O