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1-Propanone,1-(2,4-dimethylphenyl)-2-methyl
SpectraBase Compound ID 1ix6nBDjAan
InChI InChI=1S/C12H16O/c1-8(2)12(13)11-6-5-9(3)7-10(11)4/h5-8H,1-4H3
InChIKey WXTUTRMIGPHKKK-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 8G5jZMCXymu
Name 1-Propanone,1-(2,4-dimethylphenyl)-2-methyl
CAS Registry Number 23351-72-6
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c1-8(2)12(13)11-6-5-9(3)7-10(11)4/h5-8H,1-4H3
InChIKey WXTUTRMIGPHKKK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 176.259 g/mol
Nominal Mass 176 u
Quality 990
Retention Index 1282
SMILES C=1(C(C(C)C)=O)C(=CC(=CC1)C)C
SPLASH splash10-001i-5900000000-168350de6e408ab10847
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(2,4-Dimethylphenyl)-2-methylpropan-1-one
Technique GC/MS
Wiley ID DD2024_011579