For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-Pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-2-oxo-6-[[(phenylmethyl)thio]methyl]-, ethyl ester
SpectraBase Compound ID ICsZeQEbiaa
InChI InChI=1S/C23H26N2O3S/c1-4-28-22(26)20-19(14-29-13-17-8-6-5-7-9-17)24-23(27)25-21(20)18-12-15(2)10-11-16(18)3/h5-12,21H,4,13-14H2,1-3H3,(H2,24,25,27)
InChIKey SKMIDQQQVAUFQQ-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2yFnV3eLFqc
Name 5-pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-2-oxo-6-[[(phenylmethyl)thio]methyl]-, 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/c1-4-28-22(26)20-19(14-29-13-17-8-6-5-7-9-17)24-23(27)25-21(20)18-12-15(2)10-11-16(18)3/h5-12,21H,4,13-14H2,1-3H3,(H2,24,25,27)
InChIKey SKMIDQQQVAUFQQ-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_9323
Solvent DMSO-d6
Source Vendor ID: NMR/14228170