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

*Links on SpectraBase are not permalinks.

2,6-Pyridinedicarboxylic acid, 2-chlorophenyl hexyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-chlorophenyl hexyl ester
SpectraBase Compound ID 278N6Ymfsi9
InChI InChI=1S/C19H20ClNO4/c1-2-3-4-7-13-24-18(22)15-10-8-11-16(21-15)19(23)25-17-12-6-5-9-14(17)20/h5-6,8-12H,2-4,7,13H2,1H3
InChIKey COILYFCLRRXTDE-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 8EUjqPCY2oh
Name 2,6-Pyridinedicarboxylic acid, 2-chlorophenyl hexyl 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/c1-2-3-4-7-13-24-18(22)15-10-8-11-16(21-15)19(23)25-17-12-6-5-9-14(17)20/h5-6,8-12H,2-4,7,13H2,1H3
InChIKey COILYFCLRRXTDE-UHFFFAOYSA-N
Molecular Weight 361.825 g/mol
SMILES C1=CC=C(C(=C1)OC(C1=NC(C(OCCCCCC)=O)=CC=C1)=O)Cl