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(4-methoxyphenyl)methyl 4-(3-bromanyl-4-fluoranyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

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(4-methoxyphenyl)methyl 4-(3-bromanyl-4-fluoranyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
SpectraBase Compound ID 7PIsSs7t6C3
InChI InChI=1S/C20H18BrFN2O4/c1-11-17(19(25)28-10-12-3-6-14(27-2)7-4-12)18(24-20(26)23-11)13-5-8-16(22)15(21)9-13/h3-9,18H,10H2,1-2H3,(H2,23,24,26)
InChIKey DPBZQYHJBGVSSQ-UHFFFAOYSA-N
Mol Weight 449.28 g/mol
Molecular Formula C20H18BrFN2O4
Exact Mass 448.043398 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1pwkfJQ0mpC
Name 5-pyrimidinecarboxylic acid, 4-(3-bromo-4-fluorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, (4-methoxyphenyl)methyl 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 448.043398227 u
Formula C20H18BrFN2O4
InChI InChI=1S/C20H18BrFN2O4/c1-11-17(19(25)28-10-12-3-6-14(27-2)7-4-12)18(24-20(26)23-11)13-5-8-16(22)15(21)9-13/h3-9,18H,10H2,1-2H3,(H2,23,24,26)
InChIKey DPBZQYHJBGVSSQ-UHFFFAOYSA-N
Molecular Weight 449.276 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14673
Solvent DMSO-d6
Source Vendor ID: NMR/10311556; Lab Info: SAS; Lab Number: SAS-tst4351