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1-[2-(3-Hydroxypropyl)-4-methylphenyl]ethan-1-one
SpectraBase Compound ID ImJ1IXyQHlv
InChI InChI=1S/C12H16O2/c1-9-5-6-12(10(2)14)11(8-9)4-3-7-13/h5-6,8,13H,3-4,7H2,1-2H3
InChIKey GFVDDEZEWGWXQS-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVVpRgNc7x7
Name 1-[2-(3-Hydroxypropyl)-4-methylphenyl]ethan-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.115029753 u
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-9-5-6-12(10(2)14)11(8-9)4-3-7-13/h5-6,8,13H,3-4,7H2,1-2H3
InChIKey GFVDDEZEWGWXQS-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201601560
Molecular Weight 192.258 g/mol
Quality 210
Reported Formula C12H16O2
SMILES OCCCC1=C(C=CC(=C1)C)C(C)=O
SPLASH splash10-0a4i-1900000000-1360e15bf30fee053ddf
Source of Spectrum ACI-55-SM36-11 (DOI: 10.1002/anie.201601560)
Thin-Layer Chromatography 0.3 (n-hexane/EtOAc: 20/1->5/1; n-hexane/EtOAc = 1/1)
Wiley ID 1904450