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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, heptyl 3-phenylpropyl ester
SpectraBase Compound ID 9vxGIAguHFY
InChI InChI=1S/C23H29NO4/c1-2-3-4-5-9-17-27-22(25)20-15-10-16-21(24-20)23(26)28-18-11-14-19-12-7-6-8-13-19/h6-8,10,12-13,15-16H,2-5,9,11,14,17-18H2,1H3
InChIKey CVZNWFPRYSSEAO-UHFFFAOYSA-N
Mol Weight 383.49 g/mol
Molecular Formula C23H29NO4
Exact Mass 383.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lff6lujWkX6
Name 2,6-Pyridinedicarboxylic acid, heptyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 383.209658414 u
Formula C23H29NO4
InChI InChI=1S/C23H29NO4/c1-2-3-4-5-9-17-27-22(25)20-15-10-16-21(24-20)23(26)28-18-11-14-19-12-7-6-8-13-19/h6-8,10,12-13,15-16H,2-5,9,11,14,17-18H2,1H3
InChIKey CVZNWFPRYSSEAO-UHFFFAOYSA-N
Molecular Weight 383.488 g/mol
SMILES CCCCCCCOC(C=1N=C(C(OCCCC2=CC=CC=C2)=O)C=CC1)=O