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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, octyl 4-octyl ester
SpectraBase Compound ID KpZizSsRDrB
InChI InChI=1S/C23H37NO4/c1-4-7-9-10-11-12-18-27-22(25)20-16-13-17-21(24-20)23(26)28-19(14-6-3)15-8-5-2/h13,16-17,19H,4-12,14-15,18H2,1-3H3
InChIKey JYKAXUOXFBWKGL-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 KHabVXcRfpM
Name 2,6-Pyridinedicarboxylic acid, octyl 4-octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 391.272258671 u
Formula C23H37NO4
InChI InChI=1S/C23H37NO4/c1-4-7-9-10-11-12-18-27-22(25)20-16-13-17-21(24-20)23(26)28-19(14-6-3)15-8-5-2/h13,16-17,19H,4-12,14-15,18H2,1-3H3
InChIKey JYKAXUOXFBWKGL-UHFFFAOYSA-N
Molecular Weight 391.552 g/mol
SMILES CCCC(OC(C1=NC(C(OCCCCCCCC)=O)=CC=C1)=O)CCCC