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2,6-Pyridinedicarboxylic acid, nonyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, nonyl 3-phenylpropyl ester
SpectraBase Compound ID CEzqlahxGz6
InChI InChI=1S/C25H33NO4/c1-2-3-4-5-6-7-11-19-29-24(27)22-17-12-18-23(26-22)25(28)30-20-13-16-21-14-9-8-10-15-21/h8-10,12,14-15,17-18H,2-7,11,13,16,19-20H2,1H3
InChIKey WKPIKHRQZPJEJD-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C25H33NO4
Exact Mass 411.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I0kWmxdpMEV
Name 2,6-Pyridinedicarboxylic acid, nonyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.240958543 u
Formula C25H33NO4
InChI InChI=1S/C25H33NO4/c1-2-3-4-5-6-7-11-19-29-24(27)22-17-12-18-23(26-22)25(28)30-20-13-16-21-14-9-8-10-15-21/h8-10,12,14-15,17-18H,2-7,11,13,16,19-20H2,1H3
InChIKey WKPIKHRQZPJEJD-UHFFFAOYSA-N
Molecular Weight 411.542 g/mol
SMILES CCCCCCCCCOC(C=1N=C(C(OCCCC2=CC=CC=C2)=O)C=CC1)=O