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Glutaric acid, 2-fluorophenyl 2,4,5-trichlorophenyl ester

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

Glutaric acid, 2-fluorophenyl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID 7KTaaRdFdEU
InChI InChI=1S/C17H12Cl3FO4/c18-10-8-12(20)15(9-11(10)19)25-17(23)7-3-6-16(22)24-14-5-2-1-4-13(14)21/h1-2,4-5,8-9H,3,6-7H2
InChIKey IAEWPYSYDXIBFZ-UHFFFAOYSA-N
Mol Weight 405.64 g/mol
Molecular Formula C17H12Cl3FO4
Exact Mass 403.97852 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KUUcktOSdyR
Name Glutaric acid, 2-fluorophenyl 2,4,5-trichlorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.978520125 u
Formula C17H12Cl3FO4
InChI InChI=1S/C17H12Cl3FO4/c18-10-8-12(20)15(9-11(10)19)25-17(23)7-3-6-16(22)24-14-5-2-1-4-13(14)21/h1-2,4-5,8-9H,3,6-7H2
InChIKey IAEWPYSYDXIBFZ-UHFFFAOYSA-N
Molecular Weight 405.636 g/mol
SMILES C(CCC(OC1=CC=CC=C1F)=O)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963134