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3-Isopropoxy-4-(trifluoromethyl)benzoic acid

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

3-Isopropoxy-4-(trifluoromethyl)benzoic acid
SpectraBase Compound ID Gi6fxOwBpTf
InChI InChI=1S/C11H11F3O3/c1-6(2)17-9-5-7(10(15)16)3-4-8(9)11(12,13)14/h3-6H,1-2H3,(H,15,16)
InChIKey QKIGCHHQKZJQHW-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 BRcdiGhiA6i
Name 3-Isopropoxy-4-(trifluoromethyl)benzoic acid
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/c1-6(2)17-9-5-7(10(15)16)3-4-8(9)11(12,13)14/h3-6H,1-2H3,(H,15,16)
InChIKey QKIGCHHQKZJQHW-UHFFFAOYSA-N
Molecular Weight 248.201 g/mol
SMILES C1=C(C(=CC=C1C(=O)O)C(F)(F)F)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807677