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2,6-Pyridinedicarboxylic acid, nonyl phenethyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, nonyl phenethyl ester
SpectraBase Compound ID BvlToj0jXv6
InChI InChI=1S/C24H31NO4/c1-2-3-4-5-6-7-11-18-28-23(26)21-15-12-16-22(25-21)24(27)29-19-17-20-13-9-8-10-14-20/h8-10,12-16H,2-7,11,17-19H2,1H3
InChIKey TZXMEIHXLPLWEM-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C24H31NO4
Exact Mass 397.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8iV6NGcMJSp
Name 2,6-Pyridinedicarboxylic acid, nonyl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 397.225308478 u
Formula C24H31NO4
InChI InChI=1S/C24H31NO4/c1-2-3-4-5-6-7-11-18-28-23(26)21-15-12-16-22(25-21)24(27)29-19-17-20-13-9-8-10-14-20/h8-10,12-16H,2-7,11,17-19H2,1H3
InChIKey TZXMEIHXLPLWEM-UHFFFAOYSA-N
Molecular Weight 397.515 g/mol
SMILES C1=CC=CC(=C1)CCOC(C1=NC(C(OCCCCCCCCC)=O)=CC=C1)=O