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2,6-Pyridinedicarboxylic acid, 4-octyl tridecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 4-octyl tridecyl ester
SpectraBase Compound ID HnimDJMdtMe
InChI InChI=1S/C28H47NO4/c1-4-7-9-10-11-12-13-14-15-16-17-23-32-27(30)25-21-18-22-26(29-25)28(31)33-24(19-6-3)20-8-5-2/h18,21-22,24H,4-17,19-20,23H2,1-3H3
InChIKey DIDKJVLOKSFPSH-UHFFFAOYSA-N
Mol Weight 461.7 g/mol
Molecular Formula C28H47NO4
Exact Mass 461.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9eeNl28vhZ9
Name 2,6-Pyridinedicarboxylic acid, 4-octyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 461.350508993 u
Formula C28H47NO4
InChI InChI=1S/C28H47NO4/c1-4-7-9-10-11-12-13-14-15-16-17-23-32-27(30)25-21-18-22-26(29-25)28(31)33-24(19-6-3)20-8-5-2/h18,21-22,24H,4-17,19-20,23H2,1-3H3
InChIKey DIDKJVLOKSFPSH-UHFFFAOYSA-N
Molecular Weight 461.687 g/mol
SMILES CCCC(OC(C1=NC(C(OCCCCCCCCCCCCC)=O)=CC=C1)=O)CCCC