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2-BENZYL-2-ACETOPHENYL-CYCLOHEXA-1,3-DIONE
SpectraBase Compound ID AIzEnXJXgSE
InChI InChI=1S/C21H20O3/c22-18(17-10-5-2-6-11-17)15-21(14-16-8-3-1-4-9-16)19(23)12-7-13-20(21)24/h1-6,8-11H,7,12-15H2
InChIKey OKJBTWYNPWCZOS-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C21H20O3
Exact Mass 320.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2orvspRjTad
Name 2-Benzyl-2-phenacyl-cyclohexane-1,3-dione
CAS Registry Number 91165-11-6
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 C21H20O3
InChI InChI=1S/C21H20O3/c22-18(17-10-5-2-6-11-17)15-21(14-16-8-3-1-4-9-16)19(23)12-7-13-20(21)24/h1-6,8-11H,7,12-15H2
InChIKey OKJBTWYNPWCZOS-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 CDCl3