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3-Chloro-5-(trifluoromethoxy)benzoic acid, methyl ester

View entire compound with spectra: 1 FTIR

3-Chloro-5-(trifluoromethoxy)benzoic acid, methyl ester
SpectraBase Compound ID KyNkZ2svkYF
InChI InChI=1S/C9H6ClF3O3/c1-15-8(14)5-2-6(10)4-7(3-5)16-9(11,12)13/h2-4H,1H3
InChIKey IAKQKWIQRVUPHE-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 43WqULi5D27
Name 3-Chloro-5-(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)5-2-6(10)4-7(3-5)16-9(11,12)13/h2-4H,1H3
InChIKey IAKQKWIQRVUPHE-UHFFFAOYSA-N
Molecular Weight 254.592 g/mol
SMILES C(F)(F)(F)OC1=CC(=CC(=C1)C(=O)OC)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893099