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

*Links on SpectraBase are not permalinks.

Pyridine-3,5-dicarboxylic acid, 1,4-dihydro-4-(4-methylthiophenyl)-, dimethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Pyridine-3,5-dicarboxylic acid, 1,4-dihydro-4-(4-methylthiophenyl)-, dimethyl ester
SpectraBase Compound ID 4SkJue65SRB
InChI InChI=1S/C16H17NO4S/c1-20-15(18)12-8-17-9-13(16(19)21-2)14(12)10-4-6-11(22-3)7-5-10/h4-9,14,17H,1-3H3
InChIKey GBIQHZKFQYTOHW-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C16H17NO4S
Exact Mass 319.087829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID JlkDjeI92rw
Name Pyridine-3,5-dicarboxylic acid, 1,4-dihydro-4-(4-methylthiophenyl)-, dimethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.087829201 u
Formula C16H17NO4S
InChI InChI=1S/C16H17NO4S/c1-20-15(18)12-8-17-9-13(16(19)21-2)14(12)10-4-6-11(22-3)7-5-10/h4-9,14,17H,1-3H3
InChIKey GBIQHZKFQYTOHW-UHFFFAOYSA-N
Molecular Weight 319.375 g/mol
SMILES C=1(C(C(C(=O)OC)=CNC1)C1=CC=C(SC)C=C1)C(=O)OC