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2,5,5-TRIMETHYL-2-(PARA-BROMO)-ACETOPHENYL-CYCLOHEXA-1,3-DIONE
SpectraBase Compound ID FWeYDVBa3V
InChI InChI=1S/C17H19BrO3/c1-16(2)9-14(20)17(3,15(21)10-16)8-13(19)11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3
InChIKey YWXNOQWTBCLXIG-UHFFFAOYSA-N
Mol Weight 351.24 g/mol
Molecular Formula C17H19BrO3
Exact Mass 350.051757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LtfzNj1sXDu
Name 2-(4-Bromo-phenacyl)-2,5,5-trimethyl-cyclohexane-1,3-dione
CAS Registry Number 112404-30-5
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 C17H19BrO3
InChI InChI=1S/C17H19BrO3/c1-16(2)9-14(20)17(3,15(21)10-16)8-13(19)11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3
InChIKey YWXNOQWTBCLXIG-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