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5-Fluoro-2-(trifluoromethyl)cinnamic acid

View entire compound with spectra: 1 FTIR

5-Fluoro-2-(trifluoromethyl)cinnamic acid
SpectraBase Compound ID JGuFnnsWGha
InChI InChI=1S/C10H6F4O2/c11-7-2-3-8(10(12,13)14)6(5-7)1-4-9(15)16/h1-5H,(H,15,16)/b4-1+
InChIKey LGTHHQOWFLXKQU-DAFODLJHSA-N
Mol Weight 234.15 g/mol
Molecular Formula C10H6F4O2
Exact Mass 234.030392 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6VmBndYTypk
Name 5-Fluoro-2-(trifluoromethyl)cinnamic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.030392083 u
Formula C10H6F4O2
InChI InChI=1S/C10H6F4O2/c11-7-2-3-8(10(12,13)14)6(5-7)1-4-9(15)16/h1-5H,(H,15,16)/b4-1+
InChIKey LGTHHQOWFLXKQU-DAFODLJHSA-N
Molecular Weight 234.150 g/mol
SMILES C(F)(F)(F)C1=C(\C=C\C(O)=O)C=C(C=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925648