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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, heptyl 3-(2-methoxyethyl)nonyl ester
SpectraBase Compound ID 6vgZ8DnzDWV
InChI InChI=1S/C26H43NO5/c1-4-6-8-10-12-19-31-25(28)23-15-13-16-24(27-23)26(29)32-21-18-22(17-20-30-3)14-11-9-7-5-2/h13,15-16,22H,4-12,14,17-21H2,1-3H3
InChIKey PRPLEHJBHVEKMJ-UHFFFAOYSA-N
Mol Weight 449.6 g/mol
Molecular Formula C26H43NO5
Exact Mass 449.314123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5N9uZvrLT7d
Name 2,6-Pyridinedicarboxylic acid, heptyl 3-(2-methoxyethyl)nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 449.314123484 u
Formula C26H43NO5
InChI InChI=1S/C26H43NO5/c1-4-6-8-10-12-19-31-25(28)23-15-13-16-24(27-23)26(29)32-21-18-22(17-20-30-3)14-11-9-7-5-2/h13,15-16,22H,4-12,14,17-21H2,1-3H3
InChIKey PRPLEHJBHVEKMJ-UHFFFAOYSA-N
Molecular Weight 449.632 g/mol
SMILES COCCC(CCOC(C1=NC(C(OCCCCCCC)=O)=CC=C1)=O)CCCCCC