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2,6-Pyridinedicarboxylic acid, di(4-octyl) ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, di(4-octyl) ester
SpectraBase Compound ID 71CFrVUD4uK
InChI InChI=1S/C23H37NO4/c1-5-9-14-18(12-7-3)27-22(25)20-16-11-17-21(24-20)23(26)28-19(13-8-4)15-10-6-2/h11,16-19H,5-10,12-15H2,1-4H3
InChIKey WZASUDZOPZWWJM-UHFFFAOYSA-N
Mol Weight 391.6 g/mol
Molecular Formula C23H37NO4
Exact Mass 391.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4iV4A203Mm
Name 2,6-Pyridinedicarboxylic acid, di(4-octyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 391.272258671 u
Formula C23H37NO4
InChI InChI=1S/C23H37NO4/c1-5-9-14-18(12-7-3)27-22(25)20-16-11-17-21(24-20)23(26)28-19(13-8-4)15-10-6-2/h11,16-19H,5-10,12-15H2,1-4H3
InChIKey WZASUDZOPZWWJM-UHFFFAOYSA-N
Molecular Weight 391.552 g/mol
SMILES CCCC(OC(C1=NC(C(OC(CCCC)CCC)=O)=CC=C1)=O)CCCC