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

*Links on SpectraBase are not permalinks.

1,6-Hexanedioic acid dipicolinyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

1,6-Hexanedioic acid dipicolinyl ester
SpectraBase Compound ID JNgtEdSUvVU
InChI InChI=1S/C18H20N2O4/c21-17(23-13-15-5-3-9-19-11-15)7-1-2-8-18(22)24-14-16-6-4-10-20-12-16/h3-6,9-12H,1-2,7-8,13-14H2
InChIKey GPWDGDXGDPRIDG-UHFFFAOYSA-N
Mol Weight 328.37 g/mol
Molecular Formula C18H20N2O4
Exact Mass 328.142307 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID FmR2PAHpVMO
Name 1,6-Hexanedioic acid dipicolinyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.142307128 u
Formula C18H20N2O4
InChI InChI=1S/C18H20N2O4/c21-17(23-13-15-5-3-9-19-11-15)7-1-2-8-18(22)24-14-16-6-4-10-20-12-16/h3-6,9-12H,1-2,7-8,13-14H2
InChIKey GPWDGDXGDPRIDG-UHFFFAOYSA-N
Molecular Weight 328.368 g/mol
SMILES C(OCC1=CN=CC=C1)(CCCCC(OCC1=CN=CC=C1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845666