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1-(2,5-Dimethylphenyl)pentan-1-one
SpectraBase Compound ID KsZJF4lX0mF
InChI InChI=1S/C13H18O/c1-4-5-6-13(14)12-9-10(2)7-8-11(12)3/h7-9H,4-6H2,1-3H3
InChIKey FVWKVKSGCYFYFY-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lf0aomVpMO
Name 1-(2,5-Dimethylphenyl)pentan-1-one
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 190.135765199 u
Formula C13H18O
InChI InChI=1S/C13H18O/c1-4-5-6-13(14)12-9-10(2)7-8-11(12)3/h7-9H,4-6H2,1-3H3
InChIKey FVWKVKSGCYFYFY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 190.286 g/mol
Nominal Mass 190 u
Quality 885
Retention Index 1382
SMILES C=1(C(=CC=C(C1)C)C)C(CCCC)=O
SPLASH splash10-0560-6900000000-a3edc02bb09fd72c8afd
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(2,5-dimethylphenyl)pentan-1-one
Technique GC/MS
Wiley ID DD2024_001146