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2,6-Pyridinedicarboxylic acid, dodecyl 2-(2-methoxyethyl)hexyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, dodecyl 2-(2-methoxyethyl)hexyl ester
SpectraBase Compound ID 6YjnEj9IzzN
InChI InChI=1S/C28H47NO5/c1-4-6-8-9-10-11-12-13-14-15-21-33-27(30)25-18-16-19-26(29-25)28(31)34-23-24(17-7-5-2)20-22-32-3/h16,18-19,24H,4-15,17,20-23H2,1-3H3
InChIKey IFKLUZCDSLREBO-UHFFFAOYSA-N
Mol Weight 477.7 g/mol
Molecular Formula C28H47NO5
Exact Mass 477.345424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FnVpshoygFT
Name 2,6-Pyridinedicarboxylic acid, dodecyl 2-(2-methoxyethyl)hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 477.345423612 u
Formula C28H47NO5
InChI InChI=1S/C28H47NO5/c1-4-6-8-9-10-11-12-13-14-15-21-33-27(30)25-18-16-19-26(29-25)28(31)34-23-24(17-7-5-2)20-22-32-3/h16,18-19,24H,4-15,17,20-23H2,1-3H3
InChIKey IFKLUZCDSLREBO-UHFFFAOYSA-N
Molecular Weight 477.686 g/mol
SMILES CCCCCCCCCCCCOC(C=1N=C(C(OCC(CCCC)CCOC)=O)C=CC1)=O