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4,4,4-Trifluoro-1-(3-methoxyphenyl)butane-1,3-dione

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

4,4,4-Trifluoro-1-(3-methoxyphenyl)butane-1,3-dione
SpectraBase Compound ID J7cXb0JZ9jl
InChI InChI=1S/C11H9F3O3/c1-17-8-4-2-3-7(5-8)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
InChIKey DIZYLXQPKFYSGQ-UHFFFAOYSA-N
Mol Weight 246.19 g/mol
Molecular Formula C11H9F3O3
Exact Mass 246.050379 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AWAYr53OQKe
Name 4,4,4-Trifluoro-1-(3-methoxyphenyl)butane-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.050378636 u
Formula C11H9F3O3
InChI InChI=1S/C11H9F3O3/c1-17-8-4-2-3-7(5-8)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
InChIKey DIZYLXQPKFYSGQ-UHFFFAOYSA-N
Molecular Weight 246.185 g/mol
SMILES C(F)(F)(F)C(=O)CC(=O)C1=CC(=CC=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944765