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2,6-Pyridinedicarboxylic acid, isobutyl octadecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, isobutyl octadecyl ester
SpectraBase Compound ID Ih8VT1L7uWJ
InChI InChI=1S/C29H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-33-28(31)26-21-20-22-27(30-26)29(32)34-24-25(2)3/h20-22,25H,4-19,23-24H2,1-3H3
InChIKey QSYCWFANQKACTJ-UHFFFAOYSA-N
Mol Weight 475.7 g/mol
Molecular Formula C29H49NO4
Exact Mass 475.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9juDe0ci5O1
Name 2,6-Pyridinedicarboxylic acid, isobutyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 475.366159058 u
Formula C29H49NO4
InChI InChI=1S/C29H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-33-28(31)26-21-20-22-27(30-26)29(32)34-24-25(2)3/h20-22,25H,4-19,23-24H2,1-3H3
InChIKey QSYCWFANQKACTJ-UHFFFAOYSA-N
Molecular Weight 475.714 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C=1N=C(C(OCC(C)C)=O)C=CC1)=O