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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, butyl 3-(2-methoxyethyl)nonyl ester
SpectraBase Compound ID 8nYKfaaXzxN
InChI InChI=1S/C23H37NO5/c1-4-6-8-9-11-19(14-17-27-3)15-18-29-23(26)21-13-10-12-20(24-21)22(25)28-16-7-5-2/h10,12-13,19H,4-9,11,14-18H2,1-3H3
InChIKey UNEIIRNGIPLSJR-UHFFFAOYSA-N
Mol Weight 407.6 g/mol
Molecular Formula C23H37NO5
Exact Mass 407.267173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5HoTEGlkR3
Name 2,6-Pyridinedicarboxylic acid, butyl 3-(2-methoxyethyl)nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.267173290 u
Formula C23H37NO5
InChI InChI=1S/C23H37NO5/c1-4-6-8-9-11-19(14-17-27-3)15-18-29-23(26)21-13-10-12-20(24-21)22(25)28-16-7-5-2/h10,12-13,19H,4-9,11,14-18H2,1-3H3
InChIKey UNEIIRNGIPLSJR-UHFFFAOYSA-N
Molecular Weight 407.551 g/mol
SMILES COCCC(CCOC(C1=NC(=CC=C1)C(OCCCC)=O)=O)CCCCCC