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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQRhf9S0QpX
Name 5,5-Dimethyl-2-phenacyl-cyclohexane-1,3-dione
CAS Registry Number 37456-51-2
Comments TABLE LAYOUT INCORRECT, C-M AND C-P HEADINGS SHOULD BE BELOW C-I AND C-O, RESPECTIVELY
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Jeol FX-90
Literature Reference M.P. Sammes, P.M. Maini, Magn. Res. Chem. 25, 372 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6