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1-(5-Butyl-2-hydroxyphenyl)-1-propanone

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

1-(5-Butyl-2-hydroxyphenyl)-1-propanone
SpectraBase Compound ID JS9TyeltCg9
InChI InChI=1S/C13H18O2/c1-3-5-6-10-7-8-13(15)11(9-10)12(14)4-2/h7-9,15H,3-6H2,1-2H3
InChIKey VLTWYXKSBVSHPQ-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IwJsYRaGOpr
Name 1-(5-Butyl-2-hydroxyphenyl)-1-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-3-5-6-10-7-8-13(15)11(9-10)12(14)4-2/h7-9,15H,3-6H2,1-2H3
InChIKey VLTWYXKSBVSHPQ-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C(CC)(=O)C=1C(=CC=C(C1)CCCC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963641