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5-Chloro-2-(4-fluorophenoxy)benzoic acid

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

5-Chloro-2-(4-fluorophenoxy)benzoic acid
SpectraBase Compound ID GekbRSqXyFg
InChI InChI=1S/C13H8ClFO3/c14-8-1-6-12(11(7-8)13(16)17)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17)
InChIKey MTUBNWMHXHNBLO-UHFFFAOYSA-N
Mol Weight 266.66 g/mol
Molecular Formula C13H8ClFO3
Exact Mass 266.0146 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 34UNL7tFhJI
Name 5-Chloro-2-(4-fluorophenoxy)benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.014599978 u
Formula C13H8ClFO3
InChI InChI=1S/C13H8ClFO3/c14-8-1-6-12(11(7-8)13(16)17)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17)
InChIKey MTUBNWMHXHNBLO-UHFFFAOYSA-N
Molecular Weight 266.655 g/mol
SMILES C1(F)=CC=C(C=C1)OC1=C(C=C(C=C1)Cl)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863001