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3-Fluoro-5-trifluoromethylbenzoic acid, isopropyl ester

View entire compound with spectra: 1 FTIR

3-Fluoro-5-trifluoromethylbenzoic acid, isopropyl ester
SpectraBase Compound ID 1Qh7oXfO2mM
InChI InChI=1S/C11H10F4O2/c1-6(2)17-10(16)7-3-8(11(13,14)15)5-9(12)4-7/h3-6H,1-2H3
InChIKey YVXFIQYKYJHIPC-UHFFFAOYSA-N
Mol Weight 250.19 g/mol
Molecular Formula C11H10F4O2
Exact Mass 250.061692 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9UVVbGXj9SB
Name 3-Fluoro-5-trifluoromethylbenzoic acid, isopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.061692212 u
Formula C11H10F4O2
InChI InChI=1S/C11H10F4O2/c1-6(2)17-10(16)7-3-8(11(13,14)15)5-9(12)4-7/h3-6H,1-2H3
InChIKey YVXFIQYKYJHIPC-UHFFFAOYSA-N
Molecular Weight 250.193 g/mol
SMILES C1=C(C=C(C=C1C(F)(F)F)F)C(=O)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938996