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

*Links on SpectraBase are not permalinks.

5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-6-methyl-2-thioxo-, 2-propenyl ester

View entire compound with spectra: 2 NMR

5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-6-methyl-2-thioxo-, 2-propenyl ester
SpectraBase Compound ID CopR884Q8kf
InChI InChI=1S/C16H18N2O3S/c1-4-9-21-15(19)13-10(2)17-16(22)18-14(13)11-5-7-12(20-3)8-6-11/h4-8,14H,1,9H2,2-3H3,(H2,17,18,22)
InChIKey JGPFJTIFNVWCCG-UHFFFAOYSA-N
Mol Weight 318.39 g/mol
Molecular Formula C16H18N2O3S
Exact Mass 318.103814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID AIlYYuoc1Iq
Name 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-6-methyl-2-thioxo-, 2-propenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.103813619 u
Formula C16H18N2O3S
InChI InChI=1S/C16H18N2O3S/c1-4-9-21-15(19)13-10(2)17-16(22)18-14(13)11-5-7-12(20-3)8-6-11/h4-8,14H,1,9H2,2-3H3,(H2,17,18,22)
InChIKey JGPFJTIFNVWCCG-UHFFFAOYSA-N
Molecular Weight 318.391 g/mol
SMILES N1C(NC(C(=C1C)C(=O)OCC=C)C1=CC=C(C=C1)OC)=S