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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, ethyl 3-(2-methoxyethyl)heptyl ester
SpectraBase Compound ID 9KTtgm9r172
InChI InChI=1S/C19H29NO5/c1-4-6-8-15(11-13-23-3)12-14-25-19(22)17-10-7-9-16(20-17)18(21)24-5-2/h7,9-10,15H,4-6,8,11-14H2,1-3H3
InChIKey FPHUVROUQOWHPD-UHFFFAOYSA-N
Mol Weight 351.44 g/mol
Molecular Formula C19H29NO5
Exact Mass 351.204573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BErBPDPJgA8
Name 2,6-Pyridinedicarboxylic acid, ethyl 3-(2-methoxyethyl)heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 351.204573033 u
Formula C19H29NO5
InChI InChI=1S/C19H29NO5/c1-4-6-8-15(11-13-23-3)12-14-25-19(22)17-10-7-9-16(20-17)18(21)24-5-2/h7,9-10,15H,4-6,8,11-14H2,1-3H3
InChIKey FPHUVROUQOWHPD-UHFFFAOYSA-N
Molecular Weight 351.443 g/mol
SMILES COCCC(CCCC)CCOC(C1=NC(C(OCC)=O)=CC=C1)=O