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

*Links on SpectraBase are not permalinks.

2,6-Pyridinedicarboxylic acid, octadecyl 2,4,4-trimethylpentyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, octadecyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID KY4zGwTf5DR
InChI InChI=1S/C33H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-37-31(35)29-23-22-24-30(34-29)32(36)38-27-28(2)26-33(3,4)5/h22-24,28H,6-21,25-27H2,1-5H3
InChIKey IMBYBPRCOFNTFH-UHFFFAOYSA-N
Mol Weight 531.8 g/mol
Molecular Formula C33H57NO4
Exact Mass 531.428759 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 2hQNLGMJQ1g
Name 2,6-Pyridinedicarboxylic acid, octadecyl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 531.428759315 u
Formula C33H57NO4
InChI InChI=1S/C33H57NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-37-31(35)29-23-22-24-30(34-29)32(36)38-27-28(2)26-33(3,4)5/h22-24,28H,6-21,25-27H2,1-5H3
InChIKey IMBYBPRCOFNTFH-UHFFFAOYSA-N
Molecular Weight 531.822 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C=1N=C(C(OCC(CC(C)(C)C)C)=O)C=CC1)=O