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2,6-Pyridinedicarboxylic acid, isobutyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, isobutyl 3-phenylpropyl ester
SpectraBase Compound ID 9QLavemu6bc
InChI InChI=1S/C20H23NO4/c1-15(2)14-25-20(23)18-12-6-11-17(21-18)19(22)24-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,15H,7,10,13-14H2,1-2H3
InChIKey ZQOXQGHQXGOIHE-UHFFFAOYSA-N
Mol Weight 341.41 g/mol
Molecular Formula C20H23NO4
Exact Mass 341.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IWw0NkOV0A
Name 2,6-Pyridinedicarboxylic acid, isobutyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 341.162708221 u
Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-15(2)14-25-20(23)18-12-6-11-17(21-18)19(22)24-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,15H,7,10,13-14H2,1-2H3
InChIKey ZQOXQGHQXGOIHE-UHFFFAOYSA-N
Molecular Weight 341.407 g/mol
SMILES C1=CC=C(C=C1)CCCOC(C1=NC(C(OCC(C)C)=O)=CC=C1)=O