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2,6-Pyridinedicarboxylic acid, pentadecyl propyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, pentadecyl propyl ester
SpectraBase Compound ID 6RSUBoBrGu5
InChI InChI=1S/C25H41NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-30-25(28)23-19-17-18-22(26-23)24(27)29-20-4-2/h17-19H,3-16,20-21H2,1-2H3
InChIKey CBIBBKNXGLQJND-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C25H41NO4
Exact Mass 419.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HR2sQ6JR7jc
Name 2,6-Pyridinedicarboxylic acid, pentadecyl propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.303558800 u
Formula C25H41NO4
InChI InChI=1S/C25H41NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-30-25(28)23-19-17-18-22(26-23)24(27)29-20-4-2/h17-19H,3-16,20-21H2,1-2H3
InChIKey CBIBBKNXGLQJND-UHFFFAOYSA-N
Molecular Weight 419.606 g/mol
SMILES CCCOC(C=1N=C(C(OCCCCCCCCCCCCCCC)=O)C=CC1)=O