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4-Trifluoromethylbenzoic acid, propyl ester

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4-Trifluoromethylbenzoic acid, propyl ester
SpectraBase Compound ID 2ybU0Za0s1c
InChI InChI=1S/C11H11F3O2/c1-2-7-16-10(15)8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3
InChIKey KRXGXATYGWKWSV-UHFFFAOYSA-N
Mol Weight 232.2 g/mol
Molecular Formula C11H11F3O2
Exact Mass 232.071114 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BjnMbRthRG6
Name 4-Trifluoromethylbenzoic acid, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.071114081 u
Formula C11H11F3O2
InChI InChI=1S/C11H11F3O2/c1-2-7-16-10(15)8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3
InChIKey KRXGXATYGWKWSV-UHFFFAOYSA-N
Molecular Weight 232.202 g/mol
SMILES CCCOC(=O)C1=CC=C(C(F)(F)F)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922408