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4-Trifluoromethylbenzoic acid, 2-methoxyethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Trifluoromethylbenzoic acid, 2-methoxyethyl ester
SpectraBase Compound ID 6cTVYvSgPJp
InChI InChI=1S/C11H11F3O3/c1-16-6-7-17-10(15)8-2-4-9(5-3-8)11(12,13)14/h2-5H,6-7H2,1H3
InChIKey DEYZXMXCPGUKAW-UHFFFAOYSA-N
Mol Weight 248.2 g/mol
Molecular Formula C11H11F3O3
Exact Mass 248.066029 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AT2XkWVFgwH
Name 4-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 248.066028700 u
Formula C11H11F3O3
InChI InChI=1S/C11H11F3O3/c1-16-6-7-17-10(15)8-2-4-9(5-3-8)11(12,13)14/h2-5H,6-7H2,1H3
InChIKey DEYZXMXCPGUKAW-UHFFFAOYSA-N
Molecular Weight 248.201 g/mol
SMILES C(OC)COC(C1=CC=C(C(F)(F)F)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892646