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

View entire compound with spectra: 1 NMR

5-pyrimidinecarboxylic acid, 6-[[(2,5-dichlorophenyl)thio]methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-, ethyl ester
SpectraBase Compound ID BH4npk7FxrJ
InChI InChI=1S/C21H20Cl2N2O4S/c1-3-29-20(26)18-16(11-30-17-10-13(22)6-9-15(17)23)24-21(27)25-19(18)12-4-7-14(28-2)8-5-12/h4-10,19H,3,11H2,1-2H3,(H2,24,25,27)
InChIKey TVWLVXYPXUYKPD-UHFFFAOYSA-N
Mol Weight 467.37 g/mol
Molecular Formula C21H20Cl2N2O4S
Exact Mass 466.052084 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KcYLjxqRZHS
Name 5-pyrimidinecarboxylic acid, 6-[[(2,5-dichlorophenyl)thio]methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-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 466.052083702 u
Formula C21H20Cl2N2O4S
InChI InChI=1S/C21H20Cl2N2O4S/c1-3-29-20(26)18-16(11-30-17-10-13(22)6-9-15(17)23)24-21(27)25-19(18)12-4-7-14(28-2)8-5-12/h4-10,19H,3,11H2,1-2H3,(H2,24,25,27)
InChIKey TVWLVXYPXUYKPD-UHFFFAOYSA-N
Molecular Weight 467.367 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_3032
Solvent DMSO-d6
Source Vendor ID: NMR/13260242; Lab Info: CIG; Lab Number: 18