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

*Links on SpectraBase are not permalinks.

2,6-Pyridinedicarboxylic acid, 2-methylbutyl pentadecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-methylbutyl pentadecyl ester
SpectraBase Compound ID CJMRoPFOGiz
InChI InChI=1S/C27H45NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-31-26(29)24-19-18-20-25(28-24)27(30)32-22-23(3)5-2/h18-20,23H,4-17,21-22H2,1-3H3
InChIKey BHDKRGLWLPOBKE-UHFFFAOYSA-N
Mol Weight 447.7 g/mol
Molecular Formula C27H45NO4
Exact Mass 447.334859 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 CV9nE0aoHn4
Name 2,6-Pyridinedicarboxylic acid, 2-methylbutyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.334858929 u
Formula C27H45NO4
InChI InChI=1S/C27H45NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-31-26(29)24-19-18-20-25(28-24)27(30)32-22-23(3)5-2/h18-20,23H,4-17,21-22H2,1-3H3
InChIKey BHDKRGLWLPOBKE-UHFFFAOYSA-N
Molecular Weight 447.660 g/mol
SMILES CCCCCCCCCCCCCCCOC(C=1N=C(C(OCC(CC)C)=O)C=CC1)=O