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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, butyl 3-phenylpropyl ester
SpectraBase Compound ID 31Z6hfKwdWa
InChI InChI=1S/C20H23NO4/c1-2-3-14-24-19(22)17-12-7-13-18(21-17)20(23)25-15-8-11-16-9-5-4-6-10-16/h4-7,9-10,12-13H,2-3,8,11,14-15H2,1H3
InChIKey AJBMVWNXJMRHID-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 1GSCdGocXKX
Name 2,6-Pyridinedicarboxylic acid, butyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 341.162708221 u
Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-2-3-14-24-19(22)17-12-7-13-18(21-17)20(23)25-15-8-11-16-9-5-4-6-10-16/h4-7,9-10,12-13H,2-3,8,11,14-15H2,1H3
InChIKey AJBMVWNXJMRHID-UHFFFAOYSA-N
Molecular Weight 341.407 g/mol
SMILES CCCCOC(C=1N=C(C(OCCCC=2C=CC=CC2)=O)C=CC1)=O