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2,6-Pyridinedicarboxylic acid, dodecyl 3-methylbutyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, dodecyl 3-methylbutyl ester
SpectraBase Compound ID 43YN1b1Fv2Y
InChI InChI=1S/C24H39NO4/c1-4-5-6-7-8-9-10-11-12-13-18-28-23(26)21-15-14-16-22(25-21)24(27)29-19-17-20(2)3/h14-16,20H,4-13,17-19H2,1-3H3
InChIKey HQXBPJMRWAHQBW-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 DXxf4kYIszA
Name 2,6-Pyridinedicarboxylic acid, dodecyl 3-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 405.287908736 u
Formula C24H39NO4
InChI InChI=1S/C24H39NO4/c1-4-5-6-7-8-9-10-11-12-13-18-28-23(26)21-15-14-16-22(25-21)24(27)29-19-17-20(2)3/h14-16,20H,4-13,17-19H2,1-3H3
InChIKey HQXBPJMRWAHQBW-UHFFFAOYSA-N
Molecular Weight 405.579 g/mol
SMILES CCCCCCCCCCCCOC(C=1N=C(C(OCCC(C)C)=O)C=CC1)=O