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

*Links on SpectraBase are not permalinks.

2,6-Pyridinedicarboxylic acid, octyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, octyl 3-phenylpropyl ester
SpectraBase Compound ID 6BSQRAt7uvR
InChI InChI=1S/C24H31NO4/c1-2-3-4-5-6-10-18-28-23(26)21-16-11-17-22(25-21)24(27)29-19-12-15-20-13-8-7-9-14-20/h7-9,11,13-14,16-17H,2-6,10,12,15,18-19H2,1H3
InChIKey FUCFFBUTSKYAES-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C24H31NO4
Exact Mass 397.225308 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 N4OGxWqmeX
Name 2,6-Pyridinedicarboxylic acid, octyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.225308478 u
Formula C24H31NO4
InChI InChI=1S/C24H31NO4/c1-2-3-4-5-6-10-18-28-23(26)21-16-11-17-22(25-21)24(27)29-19-12-15-20-13-8-7-9-14-20/h7-9,11,13-14,16-17H,2-6,10,12,15,18-19H2,1H3
InChIKey FUCFFBUTSKYAES-UHFFFAOYSA-N
Molecular Weight 397.515 g/mol
SMILES CCCCCCCCOC(C=1N=C(C(OCCCC2=CC=CC=C2)=O)C=CC1)=O