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2,6-Pyridinedicarboxylic acid, heptadecyl 2-methylpentyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, heptadecyl 2-methylpentyl ester
SpectraBase Compound ID Hdyb8bdJQi5
InChI InChI=1S/C30H51NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34-29(32)27-22-20-23-28(31-27)30(33)35-25-26(3)21-5-2/h20,22-23,26H,4-19,21,24-25H2,1-3H3
InChIKey PHKWNFZVTNTDIE-UHFFFAOYSA-N
Mol Weight 489.7 g/mol
Molecular Formula C30H51NO4
Exact Mass 489.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJDQv1tJibz
Name 2,6-Pyridinedicarboxylic acid, heptadecyl 2-methylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 489.381809122 u
Formula C30H51NO4
InChI InChI=1S/C30H51NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34-29(32)27-22-20-23-28(31-27)30(33)35-25-26(3)21-5-2/h20,22-23,26H,4-19,21,24-25H2,1-3H3
InChIKey PHKWNFZVTNTDIE-UHFFFAOYSA-N
Molecular Weight 489.741 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C=1N=C(C(OCC(CCC)C)=O)C=CC1)=O