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

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2,2,2-Trifluoroethyl 4-(3-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID J1LiskwTExG
InChI InChI=1S/C14H12ClF3N2O3/c1-7-10(12(21)23-6-14(16,17)18)11(20-13(22)19-7)8-3-2-4-9(15)5-8/h2-5,11H,6H2,1H3,(H2,19,20,22)
InChIKey FFNQJKIDNJPEHX-UHFFFAOYSA-N
Mol Weight 348.71 g/mol
Molecular Formula C14H12ClF3N2O3
Exact Mass 348.048854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7iszKovnb
Name 2,2,2-Trifluoroethyl 4-(3-chlorophenyl)-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 348.048854440 u
Formula C14H12ClF3N2O3
InChI InChI=1S/C14H12ClF3N2O3/c1-7-10(12(21)23-6-14(16,17)18)11(20-13(22)19-7)8-3-2-4-9(15)5-8/h2-5,11H,6H2,1H3,(H2,19,20,22)
InChIKey FFNQJKIDNJPEHX-UHFFFAOYSA-N
Molecular Weight 348.709 g/mol
SMILES N1C(=C(C(NC1=O)C=1C=C(C=CC1)Cl)C(=O)OCC(F)(F)F)C