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5-Pyrimidinecarboxylic acid, 4-(2-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1-methylpropyl ester

View entire compound with spectra: 2 NMR

5-Pyrimidinecarboxylic acid, 4-(2-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1-methylpropyl ester
SpectraBase Compound ID FvdKyvziu5c
InChI InChI=1S/C16H19BrN2O3/c1-4-9(2)22-15(20)13-10(3)18-16(21)19-14(13)11-7-5-6-8-12(11)17/h5-9,14H,4H2,1-3H3,(H2,18,19,21)
InChIKey MLAYXZSHEIGQFZ-UHFFFAOYSA-N
Mol Weight 367.24 g/mol
Molecular Formula C16H19BrN2O3
Exact Mass 366.057905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tKci96W5WJ
Name 5-Pyrimidinecarboxylic acid, 4-(2-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1-methylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.057905477 u
Formula C16H19BrN2O3
InChI InChI=1S/C16H19BrN2O3/c1-4-9(2)22-15(20)13-10(3)18-16(21)19-14(13)11-7-5-6-8-12(11)17/h5-9,14H,4H2,1-3H3,(H2,18,19,21)
InChIKey MLAYXZSHEIGQFZ-UHFFFAOYSA-N
Molecular Weight 367.243 g/mol
SMILES N1C(NC(=C(C1C=1C(Br)=CC=CC1)C(OC(CC)C)=O)C)=O