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Succinic acid, di(2,2,2-trichloroethyl) ester

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

Succinic acid, di(2,2,2-trichloroethyl) ester
SpectraBase Compound ID FI1NPsLQiOF
InChI InChI=1S/C8H8Cl6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-4H2
InChIKey KUKFKXHVFOUECA-UHFFFAOYSA-N
Mol Weight 380.9 g/mol
Molecular Formula C8H8Cl6O4
Exact Mass 377.855375 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8lXJA2z7kfl
Name Succinic acid, di(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 377.855374934 u
Formula C8H8Cl6O4
InChI InChI=1S/C8H8Cl6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-4H2
InChIKey KUKFKXHVFOUECA-UHFFFAOYSA-N
Molecular Weight 380.866 g/mol
SMILES C(CCC(OCC(Cl)(Cl)Cl)=O)(OCC(Cl)(Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957954