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2,5,5-TRIMETHYL-2-ACETOPHENYL-CYCLOHEXA-1,3-DIONE
SpectraBase Compound ID HC4lBYNWxMj
InChI InChI=1S/C17H20O3/c1-16(2)10-14(19)17(3,15(20)11-16)9-13(18)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKey APUCOHBPWXWGLM-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDUhd0HKHyH
Name 2,5,5-Trimethyl-2-phenacyl-cyclohexane-1,3-dione
CAS Registry Number 91165-07-0
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 C17H20O3
InChI InChI=1S/C17H20O3/c1-16(2)10-14(19)17(3,15(20)11-16)9-13(18)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKey APUCOHBPWXWGLM-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