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2-Acetyl-2-(4-trifluoromethyl-phenylethynyl)-3,4-dihydro-naphthalen-1(2H)-one
SpectraBase Compound ID 1Ai3bG05UfD
InChI InChI=1S/C21H15F3O2/c1-14(25)20(13-11-16-4-2-3-5-18(16)19(20)26)12-10-15-6-8-17(9-7-15)21(22,23)24/h2-9H,11,13H2,1H3
InChIKey PWOBIMGFUKIIQF-UHFFFAOYSA-N
Mol Weight 356.34 g/mol
Molecular Formula C21H15F3O2
Exact Mass 356.102414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mexs5jxxky
Name 2-Acetyl-2-(4-trifluoromethyl-phenylethynyl)-3,4-dihydro-naphthalen-1(2H)-one
Comments VARIAN XL 100 OR BRUKER MW 400 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H15F3O2
InChI InChI=1S/C21H15F3O2/c1-14(25)20(13-11-16-4-2-3-5-18(16)19(20)26)12-10-15-6-8-17(9-7-15)21(22,23)24/h2-9H,11,13H2,1H3
InChIKey PWOBIMGFUKIIQF-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