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2,6-Pyridinedicarboxylic acid, ditridecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, ditridecyl ester
SpectraBase Compound ID 8Bli9FiM0Bp
InChI InChI=1S/C33H57NO4/c1-3-5-7-9-11-13-15-17-19-21-23-28-37-32(35)30-26-25-27-31(34-30)33(36)38-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27H,3-24,28-29H2,1-2H3
InChIKey PGPLVLSRCBIRSM-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

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SpectraBase Spectrum ID 4EvAty9fqb5
Name 2,6-Pyridinedicarboxylic acid, ditridecyl 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/c1-3-5-7-9-11-13-15-17-19-21-23-28-37-32(35)30-26-25-27-31(34-30)33(36)38-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27H,3-24,28-29H2,1-2H3
InChIKey PGPLVLSRCBIRSM-UHFFFAOYSA-N
Molecular Weight 531.822 g/mol
SMILES CCCCCCCCCCCCCOC(C=1N=C(C(OCCCCCCCCCCCCC)=O)C=CC1)=O