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3-Phenylpropionic acid, 2,2,2-trifluoroethyl ester

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

3-Phenylpropionic acid, 2,2,2-trifluoroethyl ester
SpectraBase Compound ID E7L7Gjnd0K
InChI InChI=1S/C11H11F3O2/c12-11(13,14)8-16-10(15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey APDSSBSNPWIOQN-UHFFFAOYSA-N
Mol Weight 232.2 g/mol
Molecular Formula C11H11F3O2
Exact Mass 232.071114 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6bbQrOFi9HR
Name 3-Phenylpropionic acid, 2,2,2-trifluoroethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.071114081 u
Formula C11H11F3O2
InChI InChI=1S/C11H11F3O2/c12-11(13,14)8-16-10(15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey APDSSBSNPWIOQN-UHFFFAOYSA-N
Molecular Weight 232.202 g/mol
SMILES C1=CC=CC=C1CCC(=O)OCC(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971592