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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)

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SpectraBase Spectrum ID DHbQBmF6K5y
Name 1,4-PENTANEDIONE, 2,2-DIMETHYL-1-(4-METHYLPHENYL)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 218.1302
SMILES c1(C)ccc(C(C(C)(C)CC(C)=O)=O)cc1
SPLASH splash10-014l-9800000000-ea29871f431fa593698e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany