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1-Hydroxy-1-(4-methoxyphenyl)-3-methylbutan-2-one

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

1-Hydroxy-1-(4-methoxyphenyl)-3-methylbutan-2-one
SpectraBase Compound ID 5MlqfyqJT1n
InChI InChI=1S/C12H16O3/c1-8(2)11(13)12(14)9-4-6-10(15-3)7-5-9/h4-8,12,14H,1-3H3
InChIKey XAMUGYICIMCNHN-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IX7vzBCNi2U
Name 1-Hydroxy-1-(4-methoxyphenyl)-3-methylbutan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.109944372 u
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-8(2)11(13)12(14)9-4-6-10(15-3)7-5-9/h4-8,12,14H,1-3H3
InChIKey XAMUGYICIMCNHN-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES C(C(C=1C=CC(=CC1)OC)O)(=O)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95283