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2,6-Pyridinedicarboxylic acid, hexadecyl hexyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, hexadecyl hexyl ester
SpectraBase Compound ID Fl5U9PHKW9
InChI InChI=1S/C29H49NO4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-25-34-29(32)27-23-21-22-26(30-27)28(31)33-24-19-8-6-4-2/h21-23H,3-20,24-25H2,1-2H3
InChIKey PJBXAKJWPVHRFY-UHFFFAOYSA-N
Mol Weight 475.7 g/mol
Molecular Formula C29H49NO4
Exact Mass 475.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dZQj2jjAJ7
Name 2,6-Pyridinedicarboxylic acid, hexadecyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.366159058 u
Formula C29H49NO4
InChI InChI=1S/C29H49NO4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-25-34-29(32)27-23-21-22-26(30-27)28(31)33-24-19-8-6-4-2/h21-23H,3-20,24-25H2,1-2H3
InChIKey PJBXAKJWPVHRFY-UHFFFAOYSA-N
Molecular Weight 475.714 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C=1N=C(C(OCCCCCC)=O)C=CC1)=O