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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, butyl 3-(2-methoxyethyl)heptyl ester
SpectraBase Compound ID IM0mHETXP6S
InChI InChI=1S/C21H33NO5/c1-4-6-9-17(12-15-25-3)13-16-27-21(24)19-11-8-10-18(22-19)20(23)26-14-7-5-2/h8,10-11,17H,4-7,9,12-16H2,1-3H3
InChIKey KTWISGPAFRWNIE-UHFFFAOYSA-N
Mol Weight 379.5 g/mol
Molecular Formula C21H33NO5
Exact Mass 379.235873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOX0rkTWK4Q
Name 2,6-Pyridinedicarboxylic acid, butyl 3-(2-methoxyethyl)heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.235873162 u
Formula C21H33NO5
InChI InChI=1S/C21H33NO5/c1-4-6-9-17(12-15-25-3)13-16-27-21(24)19-11-8-10-18(22-19)20(23)26-14-7-5-2/h8,10-11,17H,4-7,9,12-16H2,1-3H3
InChIKey KTWISGPAFRWNIE-UHFFFAOYSA-N
Molecular Weight 379.497 g/mol
SMILES COCCC(CCOC(C1=NC(=CC=C1)C(OCCCC)=O)=O)CCCC