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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, isobutyl 3-(2-methoxyethyl)heptyl ester
SpectraBase Compound ID AsDO1do9SMk
InChI InChI=1S/C21H33NO5/c1-5-6-8-17(11-13-25-4)12-14-26-20(23)18-9-7-10-19(22-18)21(24)27-15-16(2)3/h7,9-10,16-17H,5-6,8,11-15H2,1-4H3
InChIKey LCRWKPIXSWDDHG-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 AAt3fWrduSo
Name 2,6-Pyridinedicarboxylic acid, isobutyl 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/c1-5-6-8-17(11-13-25-4)12-14-26-20(23)18-9-7-10-19(22-18)21(24)27-15-16(2)3/h7,9-10,16-17H,5-6,8,11-15H2,1-4H3
InChIKey LCRWKPIXSWDDHG-UHFFFAOYSA-N
Molecular Weight 379.497 g/mol
SMILES COCCC(CCOC(C1=NC(C(OCC(C)C)=O)=CC=C1)=O)CCCC