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2,6-Pyridinedicarboxylic acid, di(2-octyl) ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, di(2-octyl) ester
SpectraBase Compound ID 6IFe6JVb2wI
InChI InChI=1S/C23H37NO4/c1-5-7-9-11-14-18(3)27-22(25)20-16-13-17-21(24-20)23(26)28-19(4)15-12-10-8-6-2/h13,16-19H,5-12,14-15H2,1-4H3
InChIKey PCNJITYEUZXFRH-UHFFFAOYSA-N
Mol Weight 391.6 g/mol
Molecular Formula C23H37NO4
Exact Mass 391.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuV8tTJhryc
Name 2,6-Pyridinedicarboxylic acid, di(2-octyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.272258671 u
Formula C23H37NO4
InChI InChI=1S/C23H37NO4/c1-5-7-9-11-14-18(3)27-22(25)20-16-13-17-21(24-20)23(26)28-19(4)15-12-10-8-6-2/h13,16-19H,5-12,14-15H2,1-4H3
InChIKey PCNJITYEUZXFRH-UHFFFAOYSA-N
Molecular Weight 391.552 g/mol
SMILES CC(OC(C1=NC(C(OC(C)CCCCCC)=O)=CC=C1)=O)CCCCCC