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3-Fluoro-5-trifluoromethylbenzoic acid, 2-methoxyethyl ester

View entire compound with spectra: 1 FTIR

3-Fluoro-5-trifluoromethylbenzoic acid, 2-methoxyethyl ester
SpectraBase Compound ID JHgq2m6ZsBf
InChI InChI=1S/C11H10F4O3/c1-17-2-3-18-10(16)7-4-8(11(13,14)15)6-9(12)5-7/h4-6H,2-3H2,1H3
InChIKey DASBOCHAIOLLTR-UHFFFAOYSA-N
Mol Weight 266.19 g/mol
Molecular Formula C11H10F4O3
Exact Mass 266.056607 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2sJhvTSyZKJ
Name 3-Fluoro-5-trifluoromethylbenzoic acid, 2-methoxyethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.056606831 u
Formula C11H10F4O3
InChI InChI=1S/C11H10F4O3/c1-17-2-3-18-10(16)7-4-8(11(13,14)15)6-9(12)5-7/h4-6H,2-3H2,1H3
InChIKey DASBOCHAIOLLTR-UHFFFAOYSA-N
Molecular Weight 266.192 g/mol
SMILES C1=C(C=C(C=C1C(F)(F)F)F)C(=O)OCCOC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95495