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Terephthalic acid, di(2,2-dichloroethyl) ester

View entire compound with spectra: 1 FTIR

Terephthalic acid, di(2,2-dichloroethyl) ester
SpectraBase Compound ID HWeJcrJ6NAP
InChI InChI=1S/C12H10Cl4O4/c13-9(14)5-19-11(17)7-1-2-8(4-3-7)12(18)20-6-10(15)16/h1-4,9-10H,5-6H2
InChIKey CGYYTTZDBWJDMS-UHFFFAOYSA-N
Mol Weight 360.0 g/mol
Molecular Formula C12H10Cl4O4
Exact Mass 357.93332 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ec5O50jSnYK
Name Terephthalic acid, di(2,2-dichloroethyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.933319598 u
Formula C12H10Cl4O4
InChI InChI=1S/C12H10Cl4O4/c13-9(14)5-19-11(17)7-1-2-8(4-3-7)12(18)20-6-10(15)16/h1-4,9-10H,5-6H2
InChIKey CGYYTTZDBWJDMS-UHFFFAOYSA-N
Molecular Weight 360.020 g/mol
SMILES C1=CC(=CC=C1C(OCC(Cl)Cl)=O)C(OCC(Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955237