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2,6-Pyridinedicarboxylic acid, hexadecyl pentyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, hexadecyl pentyl ester
SpectraBase Compound ID 7xnsw6W5poI
InChI InChI=1S/C28H47NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-24-33-28(31)26-22-20-21-25(29-26)27(30)32-23-18-6-4-2/h20-22H,3-19,23-24H2,1-2H3
InChIKey GQZXHENPPNLZRE-UHFFFAOYSA-N
Mol Weight 461.7 g/mol
Molecular Formula C28H47NO4
Exact Mass 461.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DvYMQHqejXM
Name 2,6-Pyridinedicarboxylic acid, hexadecyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.350508993 u
Formula C28H47NO4
InChI InChI=1S/C28H47NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-24-33-28(31)26-22-20-21-25(29-26)27(30)32-23-18-6-4-2/h20-22H,3-19,23-24H2,1-2H3
InChIKey GQZXHENPPNLZRE-UHFFFAOYSA-N
Molecular Weight 461.687 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C=1N=C(C(OCCCCC)=O)C=CC1)=O