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2,6-Pyridinedicarboxylic acid, 2-methylbutyl tridecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-methylbutyl tridecyl ester
SpectraBase Compound ID 3W9Xlnw4HFF
InChI InChI=1S/C25H41NO4/c1-4-6-7-8-9-10-11-12-13-14-15-19-29-24(27)22-17-16-18-23(26-22)25(28)30-20-21(3)5-2/h16-18,21H,4-15,19-20H2,1-3H3
InChIKey GGDGKZDWTGJUTB-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 4GWdphMyVCI
Name 2,6-Pyridinedicarboxylic acid, 2-methylbutyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 419.303558800 u
Formula C25H41NO4
InChI InChI=1S/C25H41NO4/c1-4-6-7-8-9-10-11-12-13-14-15-19-29-24(27)22-17-16-18-23(26-22)25(28)30-20-21(3)5-2/h16-18,21H,4-15,19-20H2,1-3H3
InChIKey GGDGKZDWTGJUTB-UHFFFAOYSA-N
Molecular Weight 419.606 g/mol
SMILES CCCCCCCCCCCCCOC(C=1N=C(C(OCC(CC)C)=O)C=CC1)=O