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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, butyl 2-(2-methoxyethyl)heptyl ester
SpectraBase Compound ID 3KzWwBAT7sk
InChI InChI=1S/C21H33NO5/c1-4-6-8-10-17(13-15-25-3)16-27-21(24)19-12-9-11-18(22-19)20(23)26-14-7-5-2/h9,11-12,17H,4-8,10,13-16H2,1-3H3
InChIKey SUNSPOQMAIAZBM-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 GkGC4gY2Xnl
Name 2,6-Pyridinedicarboxylic acid, butyl 2-(2-methoxyethyl)heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.235873162 u
Formula C21H33NO5
InChI InChI=1S/C21H33NO5/c1-4-6-8-10-17(13-15-25-3)16-27-21(24)19-12-9-11-18(22-19)20(23)26-14-7-5-2/h9,11-12,17H,4-8,10,13-16H2,1-3H3
InChIKey SUNSPOQMAIAZBM-UHFFFAOYSA-N
Molecular Weight 379.497 g/mol
SMILES CCCCOC(C=1N=C(C(OCC(CCCCC)CCOC)=O)C=CC1)=O