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2-(4-Bromo-phenacyl)-5-methyl-cyclohexane-1,3-dione
SpectraBase Compound ID FiqAN1G7pFk
InChI InChI=1S/C15H15BrO3/c1-9-6-14(18)12(15(19)7-9)8-13(17)10-2-4-11(16)5-3-10/h2-5,9,12H,6-8H2,1H3
InChIKey SIFOAINPKNMAMJ-UHFFFAOYSA-N
Mol Weight 323.19 g/mol
Molecular Formula C15H15BrO3
Exact Mass 322.020457 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21QkgvWZUSC
Name 2-(4-Bromo-phenacyl)-5-methyl-cyclohexane-1,3-dione
CAS Registry Number 112404-26-9
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 C15H15BrO3
InChI InChI=1S/C15H15BrO3/c1-9-6-14(18)12(15(19)7-9)8-13(17)10-2-4-11(16)5-3-10/h2-5,9,12H,6-8H2,1H3
InChIKey SIFOAINPKNMAMJ-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