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2,6-Pyridinedicarboxylic acid, heptadecyl 3-methylbutyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, heptadecyl 3-methylbutyl ester
SpectraBase Compound ID 71humkleDCd
InChI InChI=1S/C29H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-28(31)26-20-19-21-27(30-26)29(32)34-24-22-25(2)3/h19-21,25H,4-18,22-24H2,1-3H3
InChIKey LHWFCUGADFVUPV-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 Dx2O1hFH9Vk
Name 2,6-Pyridinedicarboxylic acid, heptadecyl 3-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 475.366159058 u
Formula C29H49NO4
InChI InChI=1S/C29H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-28(31)26-20-19-21-27(30-26)29(32)34-24-22-25(2)3/h19-21,25H,4-18,22-24H2,1-3H3
InChIKey LHWFCUGADFVUPV-UHFFFAOYSA-N
Molecular Weight 475.714 g/mol
SMILES CC(CCOC(C1=NC(C(OCCCCCCCCCCCCCCCCC)=O)=CC=C1)=O)C