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

View entire compound with spectra: 1 NMR

5-pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-6-[[(4-methylphenyl)thio]methyl]-2-oxo-, ethyl ester
SpectraBase Compound ID BPLsRG0f29a
InChI InChI=1S/C23H26N2O3S/c1-5-28-22(26)20-19(13-29-17-10-7-14(2)8-11-17)24-23(27)25-21(20)18-12-15(3)6-9-16(18)4/h6-12,21H,5,13H2,1-4H3,(H2,24,25,27)
InChIKey QNAPTQJVQWCIPV-UHFFFAOYSA-N
Mol Weight 410.53 g/mol
Molecular Formula C23H26N2O3S
Exact Mass 410.166414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4IvP1QuUtrE
Name 5-pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-6-[[(4-methylphenyl)thio]methyl]-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 410.166413876 u
Formula C23H26N2O3S
InChI InChI=1S/C23H26N2O3S/c1-5-28-22(26)20-19(13-29-17-10-7-14(2)8-11-17)24-23(27)25-21(20)18-12-15(3)6-9-16(18)4/h6-12,21H,5,13H2,1-4H3,(H2,24,25,27)
InChIKey QNAPTQJVQWCIPV-UHFFFAOYSA-N
Molecular Weight 410.532 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_9318
Solvent DMSO-d6
Source Vendor ID: NMR/14228165