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2-(4-Methoxy-phenacyl)-5,5-dimethyl-cyclohexane-1,3-dione
SpectraBase Compound ID 9ctTyzby2qo
InChI InChI=1S/C17H20O4/c1-17(2)9-15(19)13(16(20)10-17)8-14(18)11-4-6-12(21-3)7-5-11/h4-7,13H,8-10H2,1-3H3
InChIKey ZNYKWRZMVVDEPQ-UHFFFAOYSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7PwP9rbRSfZ
Name 2-(4-Methoxy-phenacyl)-5,5-dimethyl-cyclohexane-1,3-dione
CAS Registry Number 112404-28-1
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 C17H20O4
InChI InChI=1S/C17H20O4/c1-17(2)9-15(19)13(16(20)10-17)8-14(18)11-4-6-12(21-3)7-5-11/h4-7,13H,8-10H2,1-3H3
InChIKey ZNYKWRZMVVDEPQ-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