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2,6-Pyridinedicarboxylic acid, isobutyl 2-(2-methoxyethyl)hexyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, isobutyl 2-(2-methoxyethyl)hexyl ester
SpectraBase Compound ID 1ovrDNrm2Hw
InChI InChI=1S/C20H31NO5/c1-5-6-8-16(11-12-24-4)14-26-20(23)18-10-7-9-17(21-18)19(22)25-13-15(2)3/h7,9-10,15-16H,5-6,8,11-14H2,1-4H3
InChIKey SDSBMFVMZSFDBB-UHFFFAOYSA-N
Mol Weight 365.47 g/mol
Molecular Formula C20H31NO5
Exact Mass 365.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HU7z5wZOIGL
Name 2,6-Pyridinedicarboxylic acid, isobutyl 2-(2-methoxyethyl)hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.220223097 u
Formula C20H31NO5
InChI InChI=1S/C20H31NO5/c1-5-6-8-16(11-12-24-4)14-26-20(23)18-10-7-9-17(21-18)19(22)25-13-15(2)3/h7,9-10,15-16H,5-6,8,11-14H2,1-4H3
InChIKey SDSBMFVMZSFDBB-UHFFFAOYSA-N
Molecular Weight 365.470 g/mol
SMILES CC(C)COC(C=1N=C(C(OCC(CCCC)CCOC)=O)C=CC1)=O