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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-ethylhexyl hexadecyl ester
SpectraBase Compound ID Cw9mgxKBHWL
InChI InChI=1S/C31H53NO4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-25-35-30(33)28-23-21-24-29(32-28)31(34)36-26-27(6-3)22-8-5-2/h21,23-24,27H,4-20,22,25-26H2,1-3H3
InChIKey PXMCJDDSQMNHOZ-UHFFFAOYSA-N
Mol Weight 503.8 g/mol
Molecular Formula C31H53NO4
Exact Mass 503.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CulyEtouZJw
Name 2,6-Pyridinedicarboxylic acid, 2-ethylhexyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 503.397459187 u
Formula C31H53NO4
InChI InChI=1S/C31H53NO4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-25-35-30(33)28-23-21-24-29(32-28)31(34)36-26-27(6-3)22-8-5-2/h21,23-24,27H,4-20,22,25-26H2,1-3H3
InChIKey PXMCJDDSQMNHOZ-UHFFFAOYSA-N
Molecular Weight 503.768 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C=1N=C(C(OCC(CCCC)CC)=O)C=CC1)=O