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4,4-Dicyano-3,5-diphenyl-cyclohexanone

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4,4-Dicyano-3,5-diphenyl-cyclohexanone
SpectraBase Compound ID LkhkvDEYsgY
InChI InChI=1S/C20H16N2O/c21-13-20(14-22)18(15-7-3-1-4-8-15)11-17(23)12-19(20)16-9-5-2-6-10-16/h1-10,18-19H,11-12H2
InChIKey KRKPISNTMFUWNG-UHFFFAOYSA-N
Mol Weight 300.36 g/mol
Molecular Formula C20H16N2O
Exact Mass 300.126263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CB381AAQbkg
Name 4,4-Dicyano-3,5-diphenyl-cyclohexanone
CAS Registry Number 62940-83-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H16N2O
InChI InChI=1S/C20H16N2O/c21-13-20(14-22)18(15-7-3-1-4-8-15)11-17(23)12-19(20)16-9-5-2-6-10-16/h1-10,18-19H,11-12H2
InChIKey KRKPISNTMFUWNG-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