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2,6-Pyridinedicarboxylic acid, hexadecyl 2-methylbutyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, hexadecyl 2-methylbutyl ester
SpectraBase Compound ID Gq1rbvGXvmG
InChI InChI=1S/C28H47NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-27(30)25-20-19-21-26(29-25)28(31)33-23-24(3)5-2/h19-21,24H,4-18,22-23H2,1-3H3
InChIKey BAWHSFNCTVUFKM-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 GMRQZXBaZny
Name 2,6-Pyridinedicarboxylic acid, hexadecyl 2-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 461.350508993 u
Formula C28H47NO4
InChI InChI=1S/C28H47NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-27(30)25-20-19-21-26(29-25)28(31)33-23-24(3)5-2/h19-21,24H,4-18,22-23H2,1-3H3
InChIKey BAWHSFNCTVUFKM-UHFFFAOYSA-N
Molecular Weight 461.687 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C=1N=C(C(OCC(CC)C)=O)C=CC1)=O