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1-Propanone, 1-(2,5-dimethylphenyl)-
SpectraBase Compound ID 5DvgKTfKTT3
InChI InChI=1S/C11H14O/c1-4-11(12)10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3
InChIKey MWTJJAYEJFLROK-UHFFFAOYSA-N
Mol Weight 162.23 g/mol
Molecular Formula C11H14O
Exact Mass 162.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0brlwFancu
Name 1-(2,5-Dimethylphenyl)propan-1-one
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 162.104465070 u
Formula C11H14O
InChI InChI=1S/C11H14O/c1-4-11(12)10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3
InChIKey MWTJJAYEJFLROK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 162.232 g/mol
Nominal Mass 162 u
Quality 910
Retention Index 1182
SMILES C=1(C(=CC=C(C1)C)C)C(CC)=O
SPLASH splash10-0560-4900000000-371dbc6b03c4b627d979
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_001148