For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl pentyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl pentyl ester
SpectraBase Compound ID 7uUhVI5Z37x
InChI InChI=1S/C19H20ClNO4/c1-2-3-4-12-24-18(22)16-6-5-7-17(21-16)19(23)25-13-14-8-10-15(20)11-9-14/h5-11H,2-4,12-13H2,1H3
InChIKey XHGRRMRAPNPAPO-UHFFFAOYSA-N
Mol Weight 361.83 g/mol
Molecular Formula C19H20ClNO4
Exact Mass 361.108086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5frohKTzLlB
Name 2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.108085824 u
Formula C19H20ClNO4
InChI InChI=1S/C19H20ClNO4/c1-2-3-4-12-24-18(22)16-6-5-7-17(21-16)19(23)25-13-14-8-10-15(20)11-9-14/h5-11H,2-4,12-13H2,1H3
InChIKey XHGRRMRAPNPAPO-UHFFFAOYSA-N
Molecular Weight 361.825 g/mol
SMILES C1=C(C=CC(=C1)COC(C1=NC(C(OCCCCC)=O)=CC=C1)=O)Cl