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

*Links on SpectraBase are not permalinks.

Succinic acid, propyl 2,2,2-trichloroethyl ester

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

Succinic acid, propyl 2,2,2-trichloroethyl ester
SpectraBase Compound ID DiXAwitq1BJ
InChI InChI=1S/C9H13Cl3O4/c1-2-5-15-7(13)3-4-8(14)16-6-9(10,11)12/h2-6H2,1H3
InChIKey XDAKQGGVMSYSGN-UHFFFAOYSA-N
Mol Weight 291.56 g/mol
Molecular Formula C9H13Cl3O4
Exact Mass 289.987942 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 DgyVKJRooAB
Name Succinic acid, propyl 2,2,2-trichloroethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.987941995 u
Formula C9H13Cl3O4
InChI InChI=1S/C9H13Cl3O4/c1-2-5-15-7(13)3-4-8(14)16-6-9(10,11)12/h2-6H2,1H3
InChIKey XDAKQGGVMSYSGN-UHFFFAOYSA-N
Molecular Weight 291.558 g/mol
SMILES C(CCC(OCC(Cl)(Cl)Cl)=O)(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908167