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

*Links on SpectraBase are not permalinks.

2,6-Pyridinedicarboxylic acid, 2-(2-methoxyethyl)hexyl pentyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-(2-methoxyethyl)hexyl pentyl ester
SpectraBase Compound ID 3bS6gc6egij
InChI InChI=1S/C21H33NO5/c1-4-6-8-14-26-20(23)18-11-9-12-19(22-18)21(24)27-16-17(10-7-5-2)13-15-25-3/h9,11-12,17H,4-8,10,13-16H2,1-3H3
InChIKey WYJRJKXEVDKEGA-UHFFFAOYSA-N
Mol Weight 379.5 g/mol
Molecular Formula C21H33NO5
Exact Mass 379.235873 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 AN5GNwwf8nQ
Name 2,6-Pyridinedicarboxylic acid, 2-(2-methoxyethyl)hexyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.235873162 u
Formula C21H33NO5
InChI InChI=1S/C21H33NO5/c1-4-6-8-14-26-20(23)18-11-9-12-19(22-18)21(24)27-16-17(10-7-5-2)13-15-25-3/h9,11-12,17H,4-8,10,13-16H2,1-3H3
InChIKey WYJRJKXEVDKEGA-UHFFFAOYSA-N
Molecular Weight 379.497 g/mol
SMILES CCCCCOC(C=1N=C(C(OCC(CCCC)CCOC)=O)C=CC1)=O