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2,6-Pyridinedicarboxylic acid, dodecyl pentyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, dodecyl pentyl ester
SpectraBase Compound ID BlvqBQmMjFA
InChI InChI=1S/C24H39NO4/c1-3-5-7-8-9-10-11-12-13-15-20-29-24(27)22-18-16-17-21(25-22)23(26)28-19-14-6-4-2/h16-18H,3-15,19-20H2,1-2H3
InChIKey VUQCJWLAGBMBFN-UHFFFAOYSA-N
Mol Weight 405.6 g/mol
Molecular Formula C24H39NO4
Exact Mass 405.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kj9ZsW6j60O
Name 2,6-Pyridinedicarboxylic acid, dodecyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 405.287908736 u
Formula C24H39NO4
InChI InChI=1S/C24H39NO4/c1-3-5-7-8-9-10-11-12-13-15-20-29-24(27)22-18-16-17-21(25-22)23(26)28-19-14-6-4-2/h16-18H,3-15,19-20H2,1-2H3
InChIKey VUQCJWLAGBMBFN-UHFFFAOYSA-N
Molecular Weight 405.579 g/mol
SMILES CCCCCCCCCCCCOC(C=1N=C(C(OCCCCC)=O)C=CC1)=O