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

*Links on SpectraBase are not permalinks.

2,2-Dimethyl-1-(4-methylphenyl)-1,4-pentanedione

View entire compound with spectra: 2 MS (GC)

2,2-Dimethyl-1-(4-methylphenyl)-1,4-pentanedione
SpectraBase Compound ID DeGfXIhryoO
InChI InChI=1S/C14H18O2/c1-10-5-7-12(8-6-10)13(16)14(3,4)9-11(2)15/h5-8H,9H2,1-4H3
InChIKey QJCKYSRPUAWGPG-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 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 DcuwCNKuk84
Name 2,2-Dimethyl-1-(4-methylphenyl)-1,4-pentanedione
CAS Registry Number 71821-99-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-10-5-7-12(8-6-10)13(16)14(3,4)9-11(2)15/h5-8H,9H2,1-4H3
InChIKey QJCKYSRPUAWGPG-UHFFFAOYSA-N
Molecular Weight 218.296 g/mol
SMILES Cc1ccc(cc1)C(=O)C(CC(=O)C)(C)C
SPLASH splash10-014l-9800000000-aa5fb03ad7eb10ec5b87
Synonyms 1,4-Pentanedione, 2,2-dimethyl-1-(4-methylphenyl)- 2,2-Dimethyl-1-(4-methylphenyl)pentane-1,4-dione 2,2-Dimethyl-1-(p-tolyl)pentane-1,4-dione
Wiley ID 1489231