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Glutaric acid, 2,2-dichloroethyl 2-chloro-6-fluorophenyl ester

View entire compound with spectra: 1 FTIR

Glutaric acid, 2,2-dichloroethyl 2-chloro-6-fluorophenyl ester
SpectraBase Compound ID 7cLe2mSxP5N
InChI InChI=1S/C13H12Cl3FO4/c14-8-3-1-4-9(17)13(8)21-12(19)6-2-5-11(18)20-7-10(15)16/h1,3-4,10H,2,5-7H2
InChIKey QNWGBIJXOYWTRX-UHFFFAOYSA-N
Mol Weight 357.59 g/mol
Molecular Formula C13H12Cl3FO4
Exact Mass 355.97852 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9Wt9A2cfK5j
Name Glutaric acid, 2,2-dichloroethyl 2-chloro-6-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.978520125 u
Formula C13H12Cl3FO4
InChI InChI=1S/C13H12Cl3FO4/c14-8-3-1-4-9(17)13(8)21-12(19)6-2-5-11(18)20-7-10(15)16/h1,3-4,10H,2,5-7H2
InChIKey QNWGBIJXOYWTRX-UHFFFAOYSA-N
Molecular Weight 357.592 g/mol
SMILES C(CCC(OCC(Cl)Cl)=O)C(OC1=C(C=CC=C1F)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950929