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5-pyrimidinecarboxylic acid, 4-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, ethyl ester

View entire compound with spectra: 1 NMR

5-pyrimidinecarboxylic acid, 4-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, ethyl ester
SpectraBase Compound ID C2zce6qoSZp
InChI InChI=1S/C23H21ClN4O2S/c1-3-30-22(29)19-14(2)25-23(31)26-21(19)18-13-28(17-7-5-4-6-8-17)27-20(18)15-9-11-16(24)12-10-15/h4-13,21H,3H2,1-2H3,(H2,25,26,31)
InChIKey MYKXVWQBRKFARL-UHFFFAOYSA-N
Mol Weight 452.96 g/mol
Molecular Formula C23H21ClN4O2S
Exact Mass 452.107375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dxgjg84Uhia
Name 5-pyrimidinecarboxylic acid, 4-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, 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 452.107374804 u
Formula C23H21ClN4O2S
InChI InChI=1S/C23H21ClN4O2S/c1-3-30-22(29)19-14(2)25-23(31)26-21(19)18-13-28(17-7-5-4-6-8-17)27-20(18)15-9-11-16(24)12-10-15/h4-13,21H,3H2,1-2H3,(H2,25,26,31)
InChIKey MYKXVWQBRKFARL-UHFFFAOYSA-N
Molecular Weight 452.960 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1570
Solvent DMSO-d6
Source Vendor ID: NMR/8306778; Lab Info: REM; Lab Number: REM-km00347