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

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

Sebacic acid, di(2,2,2-trichloroethyl) ester
SpectraBase Compound ID FRkGS7FGDcP
InChI InChI=1S/C14H20Cl6O4/c15-13(16,17)9-23-11(21)7-5-3-1-2-4-6-8-12(22)24-10-14(18,19)20/h1-10H2
InChIKey XMZNZRMANMWYRT-UHFFFAOYSA-N
Mol Weight 465.0 g/mol
Molecular Formula C14H20Cl6O4
Exact Mass 461.949275 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ChNv2MN7nn
Name Sebacic 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 461.949275320 u
Formula C14H20Cl6O4
InChI InChI=1S/C14H20Cl6O4/c15-13(16,17)9-23-11(21)7-5-3-1-2-4-6-8-12(22)24-10-14(18,19)20/h1-10H2
InChIKey XMZNZRMANMWYRT-UHFFFAOYSA-N
Molecular Weight 465.028 g/mol
SMILES C(CCCCC(OCC(Cl)(Cl)Cl)=O)CCCC(OCC(Cl)(Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877604