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2,6-Pyridinedicarboxylic acid, hexyl phenethyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, hexyl phenethyl ester
SpectraBase Compound ID J8FkI9TODNB
InChI InChI=1S/C21H25NO4/c1-2-3-4-8-15-25-20(23)18-12-9-13-19(22-18)21(24)26-16-14-17-10-6-5-7-11-17/h5-7,9-13H,2-4,8,14-16H2,1H3
InChIKey DVCYEAVXFBCDEZ-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 1VF0QPvbFMo
Name 2,6-Pyridinedicarboxylic acid, hexyl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 355.178358285 u
Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-2-3-4-8-15-25-20(23)18-12-9-13-19(22-18)21(24)26-16-14-17-10-6-5-7-11-17/h5-7,9-13H,2-4,8,14-16H2,1H3
InChIKey DVCYEAVXFBCDEZ-UHFFFAOYSA-N
Molecular Weight 355.434 g/mol
SMILES C1=CC=CC(=C1)CCOC(C1=NC(C(OCCCCCC)=O)=CC=C1)=O