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2,6-Pyridinedicarboxylic acid, didecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, didecyl ester
SpectraBase Compound ID 4L2V05OwO9c
InChI InChI=1S/C27H45NO4/c1-3-5-7-9-11-13-15-17-22-31-26(29)24-20-19-21-25(28-24)27(30)32-23-18-16-14-12-10-8-6-4-2/h19-21H,3-18,22-23H2,1-2H3
InChIKey NANLAFURUSCYET-UHFFFAOYSA-N
Mol Weight 447.7 g/mol
Molecular Formula C27H45NO4
Exact Mass 447.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4lTfsxswU4N
Name 2,6-Pyridinedicarboxylic acid, didecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.334858929 u
Formula C27H45NO4
InChI InChI=1S/C27H45NO4/c1-3-5-7-9-11-13-15-17-22-31-26(29)24-20-19-21-25(28-24)27(30)32-23-18-16-14-12-10-8-6-4-2/h19-21H,3-18,22-23H2,1-2H3
InChIKey NANLAFURUSCYET-UHFFFAOYSA-N
Molecular Weight 447.660 g/mol
SMILES CCCCCCCCCCOC(C=1N=C(C(OCCCCCCCCCC)=O)C=CC1)=O