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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, pentyl 3-phenylpropyl ester
SpectraBase Compound ID 3xgBXyYgDvI
InChI InChI=1S/C21H25NO4/c1-2-3-7-15-25-20(23)18-13-8-14-19(22-18)21(24)26-16-9-12-17-10-5-4-6-11-17/h4-6,8,10-11,13-14H,2-3,7,9,12,15-16H2,1H3
InChIKey IRYGFOSKONXGRO-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGWjYeUpIYq
Name 2,6-Pyridinedicarboxylic acid, pentyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 355.178358285 u
Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-2-3-7-15-25-20(23)18-13-8-14-19(22-18)21(24)26-16-9-12-17-10-5-4-6-11-17/h4-6,8,10-11,13-14H,2-3,7,9,12,15-16H2,1H3
InChIKey IRYGFOSKONXGRO-UHFFFAOYSA-N
Molecular Weight 355.434 g/mol
SMILES CCCCCOC(C=1N=C(C(OCCCC2=CC=CC=C2)=O)C=CC1)=O