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2,6-Pyridinedicarboxylic acid, 3-methylpent-2-yl pentadecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 3-methylpent-2-yl pentadecyl ester
SpectraBase Compound ID 1Me11EuONST
InChI InChI=1S/C28H47NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22-32-27(30)25-20-19-21-26(29-25)28(31)33-24(4)23(3)6-2/h19-21,23-24H,5-18,22H2,1-4H3
InChIKey DJWVKWZDQYMFNO-UHFFFAOYSA-N
Mol Weight 461.7 g/mol
Molecular Formula C28H47NO4
Exact Mass 461.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5y99F5r7Alg
Name 2,6-Pyridinedicarboxylic acid, 3-methylpent-2-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 461.350508993 u
Formula C28H47NO4
InChI InChI=1S/C28H47NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22-32-27(30)25-20-19-21-26(29-25)28(31)33-24(4)23(3)6-2/h19-21,23-24H,5-18,22H2,1-4H3
InChIKey DJWVKWZDQYMFNO-UHFFFAOYSA-N
Molecular Weight 461.687 g/mol
SMILES CC(OC(C1=NC(C(OCCCCCCCCCCCCCCC)=O)=CC=C1)=O)C(CC)C