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Ethyl 3-(2,2,2-trifluoroacetyl)benzoate

View entire compound with spectra: 1 FTIR

Ethyl 3-(2,2,2-trifluoroacetyl)benzoate
SpectraBase Compound ID 78rrrsr2Gtk
InChI InChI=1S/C11H9F3O3/c1-2-17-10(16)8-5-3-4-7(6-8)9(15)11(12,13)14/h3-6H,2H2,1H3
InChIKey DIDNWEUOZHFCKH-UHFFFAOYSA-N
Mol Weight 246.19 g/mol
Molecular Formula C11H9F3O3
Exact Mass 246.050379 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7MoyoMO0bmB
Name Ethyl 3-(2,2,2-trifluoroacetyl)benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.050378636 u
Formula C11H9F3O3
InChI InChI=1S/C11H9F3O3/c1-2-17-10(16)8-5-3-4-7(6-8)9(15)11(12,13)14/h3-6H,2H2,1H3
InChIKey DIDNWEUOZHFCKH-UHFFFAOYSA-N
Molecular Weight 246.185 g/mol
SMILES C(F)(F)(F)C(=O)C1=CC(=CC=C1)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928706