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

View entire compound with spectra: 1 FTIR

5-Fluoro-2-trifluoromethylbenzoic acid, 2-methoxyethyl ester
SpectraBase Compound ID E40QexpuXR1
InChI InChI=1S/C11H10F4O3/c1-17-4-5-18-10(16)8-6-7(12)2-3-9(8)11(13,14)15/h2-3,6H,4-5H2,1H3
InChIKey CRVDJFQBMVSRTE-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 66T73A3ySSj
Name 5-Fluoro-2-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/c1-17-4-5-18-10(16)8-6-7(12)2-3-9(8)11(13,14)15/h2-3,6H,4-5H2,1H3
InChIKey CRVDJFQBMVSRTE-UHFFFAOYSA-N
Molecular Weight 266.192 g/mol
SMILES C(C1=C(C=CC(=C1)F)C(F)(F)F)(OCCOC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938892