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2,5,5-TRIMETHYL-2-(PARA-METHOXY)-ACETOPHENYL-CYCLOHEXA-1,3-DIONE
SpectraBase Compound ID Jr89j3Pnj26
InChI InChI=1S/C18H22O4/c1-17(2)10-15(20)18(3,16(21)11-17)9-14(19)12-5-7-13(22-4)8-6-12/h5-8H,9-11H2,1-4H3
InChIKey RDBYORLATBUFBW-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FHJysRX4cEK
Name 2-(4-Methoxy-phenacyl)-2,5,5-trimethyl-cyclohexane-1,3-dione
CAS Registry Number 112404-31-6
Comments TABLE LAYOUT INCORRECT, C-M AND C-P HEADINGS SHOULD BE BELOW C-I AND C-O, RESPECTIVELY
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-17(2)10-15(20)18(3,16(21)11-17)9-14(19)12-5-7-13(22-4)8-6-12/h5-8H,9-11H2,1-4H3
InChIKey RDBYORLATBUFBW-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