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

*Links on SpectraBase are not permalinks.

Malonic acid, di(8-chlorooctyl) ester

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

Malonic acid, di(8-chlorooctyl) ester
SpectraBase Compound ID 8b88qXPYmuI
InChI InChI=1S/C19H34Cl2O4/c20-13-9-5-1-3-7-11-15-24-18(22)17-19(23)25-16-12-8-4-2-6-10-14-21/h1-17H2
InChIKey XPFJQQXPWSKDES-UHFFFAOYSA-N
Mol Weight 397.4 g/mol
Molecular Formula C19H34Cl2O4
Exact Mass 396.183415 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 KfDoy545uqr
Name Malonic acid, di(8-chlorooctyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.183414971 u
Formula C19H34Cl2O4
InChI InChI=1S/C19H34Cl2O4/c20-13-9-5-1-3-7-11-15-24-18(22)17-19(23)25-16-12-8-4-2-6-10-14-21/h1-17H2
InChIKey XPFJQQXPWSKDES-UHFFFAOYSA-N
Molecular Weight 397.383 g/mol
SMILES C(C(OCCCCCCCCCl)=O)C(OCCCCCCCCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984387