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2-BENZYL-2-(PARA-BROMO)-ACETOPHENYL-5,5-DIMETHYL-CYCLOHEXA-1,3-DIONE
SpectraBase Compound ID 6jAC3ZqEsPw
InChI InChI=1S/C23H23BrO3/c1-22(2)14-20(26)23(21(27)15-22,12-16-6-4-3-5-7-16)13-19(25)17-8-10-18(24)11-9-17/h3-11H,12-15H2,1-2H3
InChIKey XTRVWZWKZBPEJN-UHFFFAOYSA-N
Mol Weight 427.34 g/mol
Molecular Formula C23H23BrO3
Exact Mass 426.083058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ECIN8VXEIM
Name 2-Benzyl-2-(4-bromo-phenacyl)-5,5-dimethyl-cyclohexane-1,3-dione
CAS Registry Number 112404-33-8
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 C23H23BrO3
InChI InChI=1S/C23H23BrO3/c1-22(2)14-20(26)23(21(27)15-22,12-16-6-4-3-5-7-16)13-19(25)17-8-10-18(24)11-9-17/h3-11H,12-15H2,1-2H3
InChIKey XTRVWZWKZBPEJN-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