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5,5-DIMETHYL-2-ACETOPHENYL-CYCLOHEXA-1,3-DIONE
SpectraBase Compound ID CLLPZzVc8hH
InChI InChI=1S/C16H18O3/c1-16(2)9-14(18)12(15(19)10-16)8-13(17)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKey OOBBEPNMTKNHOM-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EP8MZ5xtmWY
Name 5,5-Dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-16(2)9-14(18)12(15(19)10-16)8-13(17)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKey OOBBEPNMTKNHOM-UHFFFAOYSA-N
Literature Reference DOI 10.1248/cpb.c13-00003
Molecular Weight 258.317 g/mol
SMILES C1(C)(CC(C(CC(c2ccccc2)=O)C(=O)C1)=O)C
SPLASH splash10-0a60-9300000000-b18b1a11e21db4b725ac
Source of Spectrum E1-62-21-13a
Synonyms 5,5-Dimethyl-2-phenacylcyclohexane-1,3-dione 5,5-Dimethyl-2-phenacyl-cyclohexane-1,3-dione
Wiley ID 1743589