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5,5-DIMETHYL-2-ACETOPHENYL-CYCLOHEXA-1,3-DIONE

View entire compound with spectra: 6 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FfDaMFnFXXM
Name 5,5-dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 368016
CAS Registry Number 37456-51-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Phenacyldimedone 1,3-Cyclohexanedione, 5,5-dimethyl-2-(2-oxo-2-phenylethyl)-
Wiley ID SIAL_13CNMR_007826