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4-(3-bromo-4-fluoro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid amyl ester

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4-(3-bromo-4-fluoro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid amyl ester
SpectraBase Compound ID KHwpC0cBnj6
InChI InChI=1S/C17H20BrFN2O3/c1-3-4-5-8-24-16(22)14-10(2)20-17(23)21-15(14)11-6-7-13(19)12(18)9-11/h6-7,9,15H,3-5,8H2,1-2H3,(H2,20,21,23)
InChIKey MVFSCGYIRIMFTG-UHFFFAOYSA-N
Mol Weight 399.26 g/mol
Molecular Formula C17H20BrFN2O3
Exact Mass 398.064134 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GMq0wC9dlSM
Name 5-pyrimidinecarboxylic acid, 4-(3-bromo-4-fluorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, pentyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.064133672 u
Formula C17H20BrFN2O3
InChI InChI=1S/C17H20BrFN2O3/c1-3-4-5-8-24-16(22)14-10(2)20-17(23)21-15(14)11-6-7-13(19)12(18)9-11/h6-7,9,15H,3-5,8H2,1-2H3,(H2,20,21,23)
InChIKey MVFSCGYIRIMFTG-UHFFFAOYSA-N
Molecular Weight 399.260 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14680
Solvent DMSO-d6
Source Vendor ID: NMR/10322814; Lab Info: SAS; Lab Number: SAS-tst4408