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5-pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-6-[[(4-fluorophenyl)thio]methyl]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester

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5-pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-6-[[(4-fluorophenyl)thio]methyl]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester
SpectraBase Compound ID CZG6uV5JN0Z
InChI InChI=1S/C22H23FN2O3S/c1-4-28-21(26)19-18(12-29-16-9-7-15(23)8-10-16)24-22(27)25-20(19)17-11-13(2)5-6-14(17)3/h5-11,20H,4,12H2,1-3H3,(H2,24,25,27)
InChIKey QNKMLEGNCMAVLO-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C22H23FN2O3S
Exact Mass 414.141342 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CkVLLLKL62d
Name 5-pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-6-[[(4-fluorophenyl)thio]methyl]-1,2,3,4-tetrahydro-2-oxo-, ethyl 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 414.141341943 u
Formula C22H23FN2O3S
InChI InChI=1S/C22H23FN2O3S/c1-4-28-21(26)19-18(12-29-16-9-7-15(23)8-10-16)24-22(27)25-20(19)17-11-13(2)5-6-14(17)3/h5-11,20H,4,12H2,1-3H3,(H2,24,25,27)
InChIKey QNKMLEGNCMAVLO-UHFFFAOYSA-N
Molecular Weight 414.495 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_9322
Solvent DMSO-d6
Source Vendor ID: NMR/14228169