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[3-(Trifluoromethyl)phenoxy]acetic acid

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

[3-(Trifluoromethyl)phenoxy]acetic acid
SpectraBase Compound ID tyJ1EeZgX8
InChI InChI=1S/C9H7F3O3/c10-9(11,12)6-2-1-3-7(4-6)15-5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKey KTTDWGZRVMNQNZ-UHFFFAOYSA-N
Mol Weight 220.15 g/mol
Molecular Formula C9H7F3O3
Exact Mass 220.034729 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID COC1XHHDoD5
Name [3-(Trifluoromethyl)phenoxy]acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.034728571 u
Formula C9H7F3O3
InChI InChI=1S/C9H7F3O3/c10-9(11,12)6-2-1-3-7(4-6)15-5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKey KTTDWGZRVMNQNZ-UHFFFAOYSA-N
Molecular Weight 220.147 g/mol
SMILES C(F)(F)(F)C1=CC(=CC=C1)OCC(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966173