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2-Oxo-1-(4-trifluoromethyl-phenylethynyl)-cyclopentanecarboxylic acid, ethyl ester
SpectraBase Compound ID 8p9oYlzpejj
InChI InChI=1S/C17H15F3O3/c1-2-23-15(22)16(10-3-4-14(16)21)11-9-12-5-7-13(8-6-12)17(18,19)20/h5-8H,2-4,10H2,1H3
InChIKey DLXZCOMZALSHMU-UHFFFAOYSA-N
Mol Weight 324.3 g/mol
Molecular Formula C17H15F3O3
Exact Mass 324.097329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Jrrydu1Fax
Name 2-Oxo-1-(4-trifluoromethyl-phenylethynyl)-cyclopentanecarboxylic acid, ethyl ester
Comments VARIAN XL 100 OR BRUKER MW 400 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H15F3O3
InChI InChI=1S/C17H15F3O3/c1-2-23-15(22)16(10-3-4-14(16)21)11-9-12-5-7-13(8-6-12)17(18,19)20/h5-8H,2-4,10H2,1H3
InChIKey DLXZCOMZALSHMU-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