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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-ethylhexyl pentyl ester
SpectraBase Compound ID 9jsQv52OUbU
InChI InChI=1S/C20H31NO4/c1-4-7-9-14-24-19(22)17-12-10-13-18(21-17)20(23)25-15-16(6-3)11-8-5-2/h10,12-13,16H,4-9,11,14-15H2,1-3H3
InChIKey FTPJEOFEGUIKTA-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6KWjMa0VOrP
Name 2,6-Pyridinedicarboxylic acid, 2-ethylhexyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.225308478 u
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-4-7-9-14-24-19(22)17-12-10-13-18(21-17)20(23)25-15-16(6-3)11-8-5-2/h10,12-13,16H,4-9,11,14-15H2,1-3H3
InChIKey FTPJEOFEGUIKTA-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES CCCCCOC(C=1N=C(C(OCC(CCCC)CC)=O)C=CC1)=O