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2-Methyl-2-(phenylethynyl)-cyclohexane-1,3-dione
SpectraBase Compound ID BT62sNPRT7j
InChI InChI=1S/C15H14O2/c1-15(13(16)8-5-9-14(15)17)11-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-9H2,1H3
InChIKey OWADKAIMCLESOQ-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C15H14O2
Exact Mass 226.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41gXI8B7wlU
Name 2-Methyl-2-(phenylethynyl)-cyclohexane-1,3-dione
CAS Registry Number 121721-28-6
Comments VARIAN XL 100 OR BRUKER MW 400 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H14O2
InChI InChI=1S/C15H14O2/c1-15(13(16)8-5-9-14(15)17)11-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-9H2,1H3
InChIKey OWADKAIMCLESOQ-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference M.G. Moloney, J.T. Pinhey, E.G.Roche, J. Chem. Soc. Perkin I 333 (1989).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3