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

*Links on SpectraBase are not permalinks.

Adipic acid, 6-chlorohexyl pentyl ester

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

Adipic acid, 6-chlorohexyl pentyl ester
SpectraBase Compound ID G6tCL5BtnSj
InChI InChI=1S/C17H31ClO4/c1-2-3-9-14-21-16(19)11-6-7-12-17(20)22-15-10-5-4-8-13-18/h2-15H2,1H3
InChIKey QQWWIGPVZCSMGF-UHFFFAOYSA-N
Mol Weight 334.88 g/mol
Molecular Formula C17H31ClO4
Exact Mass 334.191087 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 7ghVYTPjpZ5
Name Adipic acid, 6-chlorohexyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.191087174 u
Formula C17H31ClO4
InChI InChI=1S/C17H31ClO4/c1-2-3-9-14-21-16(19)11-6-7-12-17(20)22-15-10-5-4-8-13-18/h2-15H2,1H3
InChIKey QQWWIGPVZCSMGF-UHFFFAOYSA-N
Molecular Weight 334.884 g/mol
SMILES C(CCC(=O)OCCCCCCCl)CC(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840912