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4-Chloro-3-(trifluoromethoxy)benzoic acid, methyl ester

View entire compound with spectra: 1 FTIR

4-Chloro-3-(trifluoromethoxy)benzoic acid, methyl ester
SpectraBase Compound ID 7pzrcQphMF6
InChI InChI=1S/C9H6ClF3O3/c1-15-8(14)5-2-3-6(10)7(4-5)16-9(11,12)13/h2-4H,1H3
InChIKey LGNFDGSBIBVOTN-UHFFFAOYSA-N
Mol Weight 254.59 g/mol
Molecular Formula C9H6ClF3O3
Exact Mass 253.995756 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LICYyeSQ4Rd
Name 4-Chloro-3-(trifluoromethoxy)benzoic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.995756239 u
Formula C9H6ClF3O3
InChI InChI=1S/C9H6ClF3O3/c1-15-8(14)5-2-3-6(10)7(4-5)16-9(11,12)13/h2-4H,1H3
InChIKey LGNFDGSBIBVOTN-UHFFFAOYSA-N
Molecular Weight 254.592 g/mol
SMILES C(F)(F)(F)OC1=C(C=CC(=C1)C(=O)OC)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962102