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4,4-Difluoro-3-hydroxy-1-(4-methoxyphenyl)-1-butanone

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

4,4-Difluoro-3-hydroxy-1-(4-methoxyphenyl)-1-butanone
SpectraBase Compound ID EOGZYAxKAT4
InChI InChI=1S/C11H12F2O3/c1-16-8-4-2-7(3-5-8)9(14)6-10(15)11(12)13/h2-5,10-11,15H,6H2,1H3
InChIKey IGOZVOCSKMBOSM-UHFFFAOYSA-N
Mol Weight 230.21 g/mol
Molecular Formula C11H12F2O3
Exact Mass 230.075451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8CrXqMNuClz
Name 4,4-Difluoro-3-hydroxy-1-(4-methoxyphenyl)-1-butanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.075450569 u
Formula C11H12F2O3
InChI InChI=1S/C11H12F2O3/c1-16-8-4-2-7(3-5-8)9(14)6-10(15)11(12)13/h2-5,10-11,15H,6H2,1H3
InChIKey IGOZVOCSKMBOSM-UHFFFAOYSA-N
Molecular Weight 230.211 g/mol
SMILES C(F)(F)C(O)CC(=O)C1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920573