For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Phenyl-3-methylbutan-1,2-dione
SpectraBase Compound ID 9Xtz5nIYIgb
InChI InChI=1S/C11H12O2/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey YDJHKEKQYGIJGI-UHFFFAOYSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8ZbXsqnx0aJ
Name 1-Phenyl-3-methylbutan-1,2-dione
Alternate Name(s) 3-Methyl-1-phenylbutane-1,2-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey YDJHKEKQYGIJGI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo201029p
Molecular Weight 176.215 g/mol
SMILES c1cc(ccc1)C(C(=O)C(C)C)=O
SPLASH splash10-0pdl-9300000000-ed39abc90d195d290ad9
Source of Spectrum J-76-6960-2o
Wiley ID 1746778