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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-(2-methoxyethyl)heptyl nonyl ester
SpectraBase Compound ID FxbQnFcv3Uh
InChI InChI=1S/C26H43NO5/c1-4-6-8-9-10-11-13-19-31-25(28)23-16-14-17-24(27-23)26(29)32-21-22(18-20-30-3)15-12-7-5-2/h14,16-17,22H,4-13,15,18-21H2,1-3H3
InChIKey HTONFYWHYDTAOJ-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 AYOjQGW1Ni9
Name 2,6-Pyridinedicarboxylic acid, 2-(2-methoxyethyl)heptyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 449.314123484 u
Formula C26H43NO5
InChI InChI=1S/C26H43NO5/c1-4-6-8-9-10-11-13-19-31-25(28)23-16-14-17-24(27-23)26(29)32-21-22(18-20-30-3)15-12-7-5-2/h14,16-17,22H,4-13,15,18-21H2,1-3H3
InChIKey HTONFYWHYDTAOJ-UHFFFAOYSA-N
Molecular Weight 449.632 g/mol
SMILES CCCCCCCCCOC(C=1N=C(C(OCC(CCCCC)CCOC)=O)C=CC1)=O