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p-(2-Chloro-1,1,2-trifluoroethoxy)benzoic acid

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, 1 UV-Vis, and 1 MS (GC)

p-(2-Chloro-1,1,2-trifluoroethoxy)benzoic acid
SpectraBase Compound ID 1lCSdbIqUJc
InChI InChI=1S/C9H6ClF3O3/c10-8(11)9(12,13)16-6-3-1-5(2-4-6)7(14)15/h1-4,8H,(H,14,15)
InChIKey UBPJCHITDRIJEB-UHFFFAOYSA-N
Mol Weight 254.59 g/mol
Molecular Formula C9H6ClF3O3
Exact Mass 253.995756 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID tquUfAbTGC
Name p-(2-Chloro-1,1,2-trifluoroethoxy)benzoic acid
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/c10-8(11)9(12,13)16-6-3-1-5(2-4-6)7(14)15/h1-4,8H,(H,14,15)
InChIKey UBPJCHITDRIJEB-UHFFFAOYSA-N
Molecular Weight 254.592 g/mol
SMILES OC(C1=CC=C(C=C1)OC(C(Cl)F)(F)F)=O
Spectrum/Structure Validation Score (Raman) 0.714829