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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, dodecyl 2-methylbutyl ester
SpectraBase Compound ID 47n8uoYw9ff
InChI InChI=1S/C24H39NO4/c1-4-6-7-8-9-10-11-12-13-14-18-28-23(26)21-16-15-17-22(25-21)24(27)29-19-20(3)5-2/h15-17,20H,4-14,18-19H2,1-3H3
InChIKey ATPWDCVSZRMHMJ-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 4xVKdU0SJh0
Name 2,6-Pyridinedicarboxylic acid, dodecyl 2-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 405.287908736 u
Formula C24H39NO4
InChI InChI=1S/C24H39NO4/c1-4-6-7-8-9-10-11-12-13-14-18-28-23(26)21-16-15-17-22(25-21)24(27)29-19-20(3)5-2/h15-17,20H,4-14,18-19H2,1-3H3
InChIKey ATPWDCVSZRMHMJ-UHFFFAOYSA-N
Molecular Weight 405.579 g/mol
SMILES CCCCCCCCCCCCOC(C=1N=C(C(OCC(CC)C)=O)C=CC1)=O