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4,4-Dimethyl-5-phenyl-1,3-cyclohexanedione
SpectraBase Compound ID F2FhYYbGA14
InChI InChI=1S/C14H16O2/c1-14(2)12(8-11(15)9-13(14)16)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKey FDTRWJLJJZIELS-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9oSNGcuKzi
Name 4,4-Dimethyl-5-phenyl-1,3-cyclohexanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-14(2)12(8-11(15)9-13(14)16)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKey FDTRWJLJJZIELS-UHFFFAOYSA-N
Molecular Weight 216.280 g/mol
SMILES C1(CC(CC(C1(C)C)c1ccccc1)=O)=O
SPLASH splash10-01b9-9410000000-47653b662376a3ef5081
Synonyms 4,4-Dimethyl-5-phenyl-cyclohexane-1,3-dione 4,4-Dimethyl-5-phenyl-cyclohexane-1,3-quinone
Wiley ID 1472222