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5-pyrimidinecarboxylic acid, 4-(3-bromo-4-fluorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, butyl ester
SpectraBase Compound ID 6JrQwKZOcFS
InChI InChI=1S/C16H18BrFN2O3/c1-3-4-7-23-15(21)13-9(2)19-16(22)20-14(13)10-5-6-12(18)11(17)8-10/h5-6,8,14H,3-4,7H2,1-2H3,(H2,19,20,22)
InChIKey HNEFFLUIHNXNTA-UHFFFAOYSA-N
Mol Weight 385.23 g/mol
Molecular Formula C16H18BrFN2O3
Exact Mass 384.048484 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4nYVv5BNdQr
Name 5-pyrimidinecarboxylic acid, 4-(3-bromo-4-fluorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, butyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H18BrFN2O3/c1-3-4-7-23-15(21)13-9(2)19-16(22)20-14(13)10-5-6-12(18)11(17)8-10/h5-6,8,14H,3-4,7H2,1-2H3,(H2,19,20,22)
InChIKey HNEFFLUIHNXNTA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_580
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11258556