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2,2,4'-trimethylpropiophenone
SpectraBase Compound ID GVf9oWf97jW
InChI InChI=1S/C12H16O/c1-9-5-7-10(8-6-9)11(13)12(2,3)4/h5-8H,1-4H3
InChIKey ZYWGAHRBGCEFAO-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50HCO4j5Bqe
Name 2,2-Dimethyl-1-(p-tolyl)propan-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c1-9-5-7-10(8-6-9)11(13)12(2,3)4/h5-8H,1-4H3
InChIKey ZYWGAHRBGCEFAO-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004840
Molecular Weight 176.259 g/mol
Quality 71
SMILES C=1C(=CC=C(C(=O)C(C)(C)C)C1)C
SPLASH splash10-014i-2900000000-039be3216b4b26f48688
Source of Spectrum QE-27-SM34-2l (DOI: 10.1002/chem.202004840)
Thin-Layer Chromatography 0.33 (hexane/EtOAc, 97:3)
Wiley ID 1902310