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2,6-Pyridinedicarboxylic acid, heptadecyl 4-octyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, heptadecyl 4-octyl ester
SpectraBase Compound ID 4yoGbbkjs4f
InChI InChI=1S/C32H55NO4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-27-36-31(34)29-25-22-26-30(33-29)32(35)37-28(23-6-3)24-8-5-2/h22,25-26,28H,4-21,23-24,27H2,1-3H3
InChIKey PNYGCTCDSBJMKJ-UHFFFAOYSA-N
Mol Weight 517.8 g/mol
Molecular Formula C32H55NO4
Exact Mass 517.413109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jLcsLqp2zm
Name 2,6-Pyridinedicarboxylic acid, heptadecyl 4-octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 517.413109251 u
Formula C32H55NO4
InChI InChI=1S/C32H55NO4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-27-36-31(34)29-25-22-26-30(33-29)32(35)37-28(23-6-3)24-8-5-2/h22,25-26,28H,4-21,23-24,27H2,1-3H3
InChIKey PNYGCTCDSBJMKJ-UHFFFAOYSA-N
Molecular Weight 517.795 g/mol
SMILES CCCC(OC(C1=NC(C(OCCCCCCCCCCCCCCCCC)=O)=CC=C1)=O)CCCC