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2,6-Pyridinedicarboxylic acid, decyl nonyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, decyl nonyl ester
SpectraBase Compound ID 4wv1OkReXuY
InChI InChI=1S/C26H43NO4/c1-3-5-7-9-11-13-15-17-22-31-26(29)24-20-18-19-23(27-24)25(28)30-21-16-14-12-10-8-6-4-2/h18-20H,3-17,21-22H2,1-2H3
InChIKey NISYRCLQPULNKF-UHFFFAOYSA-N
Mol Weight 433.6 g/mol
Molecular Formula C26H43NO4
Exact Mass 433.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lrw2br04nh9
Name 2,6-Pyridinedicarboxylic acid, decyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.319208865 u
Formula C26H43NO4
InChI InChI=1S/C26H43NO4/c1-3-5-7-9-11-13-15-17-22-31-26(29)24-20-18-19-23(27-24)25(28)30-21-16-14-12-10-8-6-4-2/h18-20H,3-17,21-22H2,1-2H3
InChIKey NISYRCLQPULNKF-UHFFFAOYSA-N
Molecular Weight 433.633 g/mol
SMILES CCCCCCCCCOC(C=1N=C(C(OCCCCCCCCCC)=O)C=CC1)=O