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2,6-Pyridinedicarboxylic acid, octyl phenethyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, octyl phenethyl ester
SpectraBase Compound ID 7KRr9IFe1IH
InChI InChI=1S/C23H29NO4/c1-2-3-4-5-6-10-17-27-22(25)20-14-11-15-21(24-20)23(26)28-18-16-19-12-8-7-9-13-19/h7-9,11-15H,2-6,10,16-18H2,1H3
InChIKey YDZUQTIQGBFEJQ-UHFFFAOYSA-N
Mol Weight 383.49 g/mol
Molecular Formula C23H29NO4
Exact Mass 383.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GwFnvyt2ZYD
Name 2,6-Pyridinedicarboxylic acid, octyl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 383.209658414 u
Formula C23H29NO4
InChI InChI=1S/C23H29NO4/c1-2-3-4-5-6-10-17-27-22(25)20-14-11-15-21(24-20)23(26)28-18-16-19-12-8-7-9-13-19/h7-9,11-15H,2-6,10,16-18H2,1H3
InChIKey YDZUQTIQGBFEJQ-UHFFFAOYSA-N
Molecular Weight 383.488 g/mol
SMILES C1=CC=CC(=C1)CCOC(C1=NC(C(OCCCCCCCC)=O)=CC=C1)=O