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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-(2-methoxyethyl)heptyl octyl ester
SpectraBase Compound ID 8sFDhEBgn6T
InChI InChI=1S/C25H41NO5/c1-4-6-8-9-10-12-18-30-24(27)22-15-13-16-23(26-22)25(28)31-20-21(17-19-29-3)14-11-7-5-2/h13,15-16,21H,4-12,14,17-20H2,1-3H3
InChIKey PWNWUJHSBGWQGD-UHFFFAOYSA-N
Mol Weight 435.6 g/mol
Molecular Formula C25H41NO5
Exact Mass 435.298473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KRgvJYtNSZb
Name 2,6-Pyridinedicarboxylic acid, 2-(2-methoxyethyl)heptyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 435.298473419 u
Formula C25H41NO5
InChI InChI=1S/C25H41NO5/c1-4-6-8-9-10-12-18-30-24(27)22-15-13-16-23(26-22)25(28)31-20-21(17-19-29-3)14-11-7-5-2/h13,15-16,21H,4-12,14,17-20H2,1-3H3
InChIKey PWNWUJHSBGWQGD-UHFFFAOYSA-N
Molecular Weight 435.605 g/mol
SMILES CCCCCCCCOC(C=1N=C(C(OCC(CCCCC)CCOC)=O)C=CC1)=O