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alpha-Chloro-m-(trifluoromethyl)hydrocinnamic acid

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

alpha-Chloro-m-(trifluoromethyl)hydrocinnamic acid
SpectraBase Compound ID B7LuNkYkVG3
InChI InChI=1S/C10H8ClF3O2/c11-8(9(15)16)5-6-2-1-3-7(4-6)10(12,13)14/h1-4,8H,5H2,(H,15,16)
InChIKey LZOCCQPLIYSRCK-UHFFFAOYSA-N
Mol Weight 252.62 g/mol
Molecular Formula C10H8ClF3O2
Exact Mass 252.016492 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID bEwLU0jk8G
Name alpha-Chloro-m-(trifluoromethyl)hydrocinnamic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.016491685 u
Formula C10H8ClF3O2
InChI InChI=1S/C10H8ClF3O2/c11-8(9(15)16)5-6-2-1-3-7(4-6)10(12,13)14/h1-4,8H,5H2,(H,15,16)
InChIKey LZOCCQPLIYSRCK-UHFFFAOYSA-N
Molecular Weight 252.620 g/mol
SMILES OC(C(CC1=CC=CC(=C1)C(F)(F)F)Cl)=O
Spectrum/Structure Validation Score (Raman) 0.815516