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Succinic acid, 2,2-dichloroethyl 4-chloro-2-methylphenyl ester

View entire compound with spectra: 1 FTIR

Succinic acid, 2,2-dichloroethyl 4-chloro-2-methylphenyl ester
SpectraBase Compound ID 4a3LmVEHVNL
InChI InChI=1S/C13H13Cl3O4/c1-8-6-9(14)2-3-10(8)20-13(18)5-4-12(17)19-7-11(15)16/h2-3,6,11H,4-5,7H2,1H3
InChIKey WSDWWQBNQBIXNY-UHFFFAOYSA-N
Mol Weight 339.6 g/mol
Molecular Formula C13H13Cl3O4
Exact Mass 337.987942 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FZn74ru8wEA
Name Succinic acid, 2,2-dichloroethyl 4-chloro-2-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.987941995 u
Formula C13H13Cl3O4
InChI InChI=1S/C13H13Cl3O4/c1-8-6-9(14)2-3-10(8)20-13(18)5-4-12(17)19-7-11(15)16/h2-3,6,11H,4-5,7H2,1H3
InChIKey WSDWWQBNQBIXNY-UHFFFAOYSA-N
Molecular Weight 339.602 g/mol
SMILES C(CC(OCC(Cl)Cl)=O)C(OC1=CC=C(C=C1C)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936034