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3-Chloro-5,5-dimethyl-2-cyclohexen-1-one
SpectraBase Compound ID HX2rfcnfGS3
InChI InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
InChIKey PJYTYJGMJDIKEJ-UHFFFAOYSA-N
Mol Weight 158.63 g/mol
Molecular Formula C8H11ClO
Exact Mass 158.049843 g/mol
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Technique Film
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample R. D. Clark & C. H. Heathcock, University of California, Berkeley, California
Technique CAPILLARY CELL: NEAT
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number A10728
Technique Neat
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JX-2012-86
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum J-46-4913-0
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CCl4
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number A10728
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number A10728
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • 3-Chloro-5,5-dimethylcyclohex-2-en-1-one
  • BETA-CHLORO-5,5-DIMETHYL-CYCLOHEX-2-ENONE
  • 2-Cyclohexen-1-one, 3-chloro-5,5-dimethyl-
  • 3-Chloro-5,5-dimethyl-2-cyclohexenone
Title Journal or Book Year
Detailed assignments of 1H and 13C NMR spectral data of 13 β‐substituted cycloenones Magnetic Resonance in Chemistry 2005

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