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2,6-Pyridinedicarboxylic acid, dodecyl undecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, dodecyl undecyl ester
SpectraBase Compound ID Ke0weYoPdHw
InChI InChI=1S/C30H51NO4/c1-3-5-7-9-11-13-15-17-19-21-26-35-30(33)28-24-22-23-27(31-28)29(32)34-25-20-18-16-14-12-10-8-6-4-2/h22-24H,3-21,25-26H2,1-2H3
InChIKey APUIQLLBJHRZHV-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 LrD57u4IqIt
Name 2,6-Pyridinedicarboxylic acid, dodecyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 489.381809122 u
Formula C30H51NO4
InChI InChI=1S/C30H51NO4/c1-3-5-7-9-11-13-15-17-19-21-26-35-30(33)28-24-22-23-27(31-28)29(32)34-25-20-18-16-14-12-10-8-6-4-2/h22-24H,3-21,25-26H2,1-2H3
InChIKey APUIQLLBJHRZHV-UHFFFAOYSA-N
Molecular Weight 489.741 g/mol
SMILES CCCCCCCCCCCOC(C=1N=C(C(OCCCCCCCCCCCC)=O)C=CC1)=O