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{o-[p-(Trifluoromethyl)benzyl]phenyl}acetic acid

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

{o-[p-(Trifluoromethyl)benzyl]phenyl}acetic acid
SpectraBase Compound ID BHT5AMyscrW
InChI InChI=1S/C16H13F3O2/c17-16(18,19)14-7-5-11(6-8-14)9-12-3-1-2-4-13(12)10-15(20)21/h1-8H,9-10H2,(H,20,21)
InChIKey GVFFCJQLWBFFOK-UHFFFAOYSA-N
Mol Weight 294.27 g/mol
Molecular Formula C16H13F3O2
Exact Mass 294.086764 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Jzhkjdp9m5n
Name {o-[p-(Trifluoromethyl)benzyl]phenyl}acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.086764146 u
Formula C16H13F3O2
InChI InChI=1S/C16H13F3O2/c17-16(18,19)14-7-5-11(6-8-14)9-12-3-1-2-4-13(12)10-15(20)21/h1-8H,9-10H2,(H,20,21)
InChIKey GVFFCJQLWBFFOK-UHFFFAOYSA-N
Molecular Weight 294.273 g/mol
SMILES C(F)(F)(F)C=1C=CC(CC2=CC=CC=C2CC(=O)O)=CC1
Spectrum/Structure Validation Score (Raman) 0.900804