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3-Trifluoromethylbenzoic acid, 2-phenylethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Trifluoromethylbenzoic acid, 2-phenylethyl ester
SpectraBase Compound ID 9dxeGvyEG3J
InChI InChI=1S/C16H13F3O2/c17-16(18,19)14-8-4-7-13(11-14)15(20)21-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKey MUNWGXLJXJWXEV-UHFFFAOYSA-N
Mol Weight 294.27 g/mol
Molecular Formula C16H13F3O2
Exact Mass 294.086764 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FCCEg3r8IdS
Name 3-Trifluoromethylbenzoic acid, 2-phenylethyl ester
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)14-8-4-7-13(11-14)15(20)21-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKey MUNWGXLJXJWXEV-UHFFFAOYSA-N
Molecular Weight 294.273 g/mol
SMILES C1(=CC=CC=C1)CCOC(C=1C=CC=C(C(F)(F)F)C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925136