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2,6-Pyridinedicarboxylic acid, neopentyl octadecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, neopentyl octadecyl ester
SpectraBase Compound ID H2F90AUnu9i
InChI InChI=1S/C30H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-34-28(32)26-22-21-23-27(31-26)29(33)35-25-30(2,3)4/h21-23H,5-20,24-25H2,1-4H3
InChIKey PICAFRWEHXOPBM-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 HAB5bVbgNYB
Name 2,6-Pyridinedicarboxylic acid, neopentyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 489.381809122 u
Formula C30H51NO4
InChI InChI=1S/C30H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-34-28(32)26-22-21-23-27(31-26)29(33)35-25-30(2,3)4/h21-23H,5-20,24-25H2,1-4H3
InChIKey PICAFRWEHXOPBM-UHFFFAOYSA-N
Molecular Weight 489.741 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C=1N=C(C(OCC(C)(C)C)=O)C=CC1)=O