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3-Trifluoromethylbenzoic acid, 2-methylphenyl ester

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3-Trifluoromethylbenzoic acid, 2-methylphenyl ester
SpectraBase Compound ID 3OLW7QCitWN
InChI InChI=1S/C15H11F3O2/c1-10-5-2-3-8-13(10)20-14(19)11-6-4-7-12(9-11)15(16,17)18/h2-9H,1H3
InChIKey QCNWTYLDMGJHMZ-UHFFFAOYSA-N
Mol Weight 280.25 g/mol
Molecular Formula C15H11F3O2
Exact Mass 280.071114 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HC9xJGhNYOE
Name 3-Trifluoromethylbenzoic acid, 2-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.071114081 u
Formula C15H11F3O2
InChI InChI=1S/C15H11F3O2/c1-10-5-2-3-8-13(10)20-14(19)11-6-4-7-12(9-11)15(16,17)18/h2-9H,1H3
InChIKey QCNWTYLDMGJHMZ-UHFFFAOYSA-N
Molecular Weight 280.246 g/mol
SMILES C1=C(C=C(C=C1)C(OC1=CC=CC=C1C)=O)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926412