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

View entire compound with spectra: 2 NMR

5-Pyrimidinecarboxylic acid, 4-(3-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1-methylethyl ester
SpectraBase Compound ID GgpkX6VHmWs
InChI InChI=1S/C15H17BrN2O3/c1-8(2)21-14(19)12-9(3)17-15(20)18-13(12)10-5-4-6-11(16)7-10/h4-8,13H,1-3H3,(H2,17,18,20)
InChIKey ASWONPGLAUWPER-UHFFFAOYSA-N
Mol Weight 353.22 g/mol
Molecular Formula C15H17BrN2O3
Exact Mass 352.042255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I4QVpvdWy2g
Name 5-Pyrimidinecarboxylic acid, 4-(3-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 1-methylethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.042255412 u
Formula C15H17BrN2O3
InChI InChI=1S/C15H17BrN2O3/c1-8(2)21-14(19)12-9(3)17-15(20)18-13(12)10-5-4-6-11(16)7-10/h4-8,13H,1-3H3,(H2,17,18,20)
InChIKey ASWONPGLAUWPER-UHFFFAOYSA-N
Molecular Weight 353.216 g/mol
SMILES N1C(NC(=C(C1C=1C=C(Br)C=CC1)C(OC(C)C)=O)C)=O