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2,6-Pyridinedicarboxylic acid, 3-(2-methoxyethyl)nonyl pentyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 3-(2-methoxyethyl)nonyl pentyl ester
SpectraBase Compound ID 9KvW7wq3E6n
InChI InChI=1S/C24H39NO5/c1-4-6-8-9-12-20(15-18-28-3)16-19-30-24(27)22-14-11-13-21(25-22)23(26)29-17-10-7-5-2/h11,13-14,20H,4-10,12,15-19H2,1-3H3
InChIKey PPZJHJDTZJCDIT-UHFFFAOYSA-N
Mol Weight 421.6 g/mol
Molecular Formula C24H39NO5
Exact Mass 421.282823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5x87piwuijH
Name 2,6-Pyridinedicarboxylic acid, 3-(2-methoxyethyl)nonyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 421.282823355 u
Formula C24H39NO5
InChI InChI=1S/C24H39NO5/c1-4-6-8-9-12-20(15-18-28-3)16-19-30-24(27)22-14-11-13-21(25-22)23(26)29-17-10-7-5-2/h11,13-14,20H,4-10,12,15-19H2,1-3H3
InChIKey PPZJHJDTZJCDIT-UHFFFAOYSA-N
Molecular Weight 421.578 g/mol
SMILES COCCC(CCOC(C1=NC(C(OCCCCC)=O)=CC=C1)=O)CCCCCC