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1(ax)-Cyano-4-oxo-2(eq),6(ax)-diphenyl-cyclohexanecarboxylic acid, methyl ester

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1(ax)-Cyano-4-oxo-2(eq),6(ax)-diphenyl-cyclohexanecarboxylic acid, methyl ester
SpectraBase Compound ID GjHSlkq3IeS
InChI InChI=1S/C21H19NO3/c1-25-20(24)21(14-22)18(15-8-4-2-5-9-15)12-17(23)13-19(21)16-10-6-3-7-11-16/h2-11,18-19H,12-13H2,1H3
InChIKey DECBLHMCYCEFIL-UHFFFAOYSA-N
Mol Weight 333.39 g/mol
Molecular Formula C21H19NO3
Exact Mass 333.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 61lDRvqAgpA
Name 1(ax)-Cyano-4-oxo-2(eq),6(eq)-diphenyl-cyclohexanecarboxylic acid, methyl ester
CAS Registry Number 63087-39-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H19NO3
InChI InChI=1S/C21H19NO3/c1-25-20(24)21(14-22)18(15-8-4-2-5-9-15)12-17(23)13-19(21)16-10-6-3-7-11-16/h2-11,18-19H,12-13H2,1H3
InChIKey DECBLHMCYCEFIL-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference C.A. Kingsbury, M.E. Jordan, J. Chem. Soc. Perkin II 364 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3