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2-BENZYL-2-(2'-OXO)-PROPYL-5,5-DIMETHYL-CYCLOHEXA-1,3-DIONE
SpectraBase Compound ID JUjaNV2W4tH
InChI InChI=1S/C18H22O3/c1-13(19)9-18(10-14-7-5-4-6-8-14)15(20)11-17(2,3)12-16(18)21/h4-8H,9-12H2,1-3H3
InChIKey ISTBTEUNYHFWCZ-UHFFFAOYSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnCwu12IHFj
Name 2-Acetonyl-2-benzyl-5,5-dimethyl-cyclohexane-1,3-dione
CAS Registry Number 91165-10-5
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 C18H22O3
InChI InChI=1S/C18H22O3/c1-13(19)9-18(10-14-7-5-4-6-8-14)15(20)11-17(2,3)12-16(18)21/h4-8H,9-12H2,1-3H3
InChIKey ISTBTEUNYHFWCZ-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