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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, octadecyl 4-octyl ester
SpectraBase Compound ID KvIAE2Av0cc
InChI InChI=1S/C33H57NO4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-37-32(35)30-26-23-27-31(34-30)33(36)38-29(24-6-3)25-8-5-2/h23,26-27,29H,4-22,24-25,28H2,1-3H3
InChIKey NDSHKJFGPUUSSE-UHFFFAOYSA-N
Mol Weight 531.8 g/mol
Molecular Formula C33H57NO4
Exact Mass 531.428759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fRc07JJxMB
Name 2,6-Pyridinedicarboxylic acid, octadecyl 4-octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 531.428759315 u
Formula C33H57NO4
InChI InChI=1S/C33H57NO4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-37-32(35)30-26-23-27-31(34-30)33(36)38-29(24-6-3)25-8-5-2/h23,26-27,29H,4-22,24-25,28H2,1-3H3
InChIKey NDSHKJFGPUUSSE-UHFFFAOYSA-N
Molecular Weight 531.822 g/mol
SMILES CCCC(OC(C1=NC(C(OCCCCCCCCCCCCCCCCCC)=O)=CC=C1)=O)CCCC