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(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
SpectraBase Compound ID GVOQh94tj8u
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey PSQYTAPXSHCGMF-BQYQJAHWSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Eastman Kodak Company, Rochester, New York
Technique NEAT
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Technique Cell
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Technique NEAT
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Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number I12603
Technique Neat
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Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number I12603
Technique Neat
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, Germany
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum SFA-100-947-beta-ionone (DOI: 10.1002/jsfa.10023)
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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Source of Spectrum HE-1982-0-0
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Source of Spectrum XW-58-0-0
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Source of Spectrum CBD-19-7-Figure 3 B-1
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Source of Spectrum CBD-19-SM5-Figure S4
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Source of Spectrum CRT-6-543-6
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Source of Spectrum CBD-19-5-A
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Source of Spectrum AA-0-1341-1
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Source of Spectrum EP-5385-0-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum PR-185-0-0
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Source of Spectrum CM-1999-36120-0
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Source of Spectrum Va-0-0-0
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Source of Spectrum Va-0-0-0
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Source of Spectrum Va-0-0-0
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Source of Spectrum Va-0-0-0
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Source of Spectrum Va-0-0-0
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Source of Spectrum Va-0-0-0
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Source of Spectrum UT-1990-1163-0
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Source of Spectrum W5-14108-0-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum LQ-1992-1460-0
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Source of Spectrum UT-1990-84-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum A5-0-11-0
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Source of Spectrum LQ-1992-227-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-4017-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-2-2341-0
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 SFA-100-947-.beta.-ionone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Eastman Organic Chemicals, Rochester, New York
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
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Solvent UNKNOWN
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Solvent CDCL3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Cyclohex-D12
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Solvent Acetone-D6
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Solvent CCl4
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Solvent CDCl3
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Solvent CDCl3
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Solvent Cyclohex-D12
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Solvent NEAT
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Solvent CDCl3
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Solvent CDCl3
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Solvent Cyclohex-D12
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Solvent Acetone-D6
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Solvent CCl4
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Cyclohex-D12
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Solvent Acetone-D6
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Solvent CCl4
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Solvent Benzene-F6
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Solvent CD2Cl2
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Cyclohex-D12
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Solvent Acetone-D6
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Solvent CCl4
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Solvent Benzene-F6
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Solvent CD2Cl2
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Cyclohex-D12
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Solvent CCl4
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Cyclohex-D12
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Solvent Acetone-D6
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Solvent CCl4
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Solvent Benzene-F6
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Solvent CD2Cl2
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Cyclohex-D12
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Solvent CCl4
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Solvent Benzene-F6
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Solvent CD2Cl2
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Cyclohex-D12
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Solvent CCl4
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Solvent Benzene-F6
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Solvent CD2Cl2
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
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Solvent CDCl3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number I12603
Solvent CDCl3
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories
Catalog Number I12603
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number I12603
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number I12603
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number I12603
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number I12603
Solvent CDCl3
  • beta-IONONE
  • Irisone
  • ß-Cyclocitrylideneacetone
  • m4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
  • PSQYTAPXSHCGMF-BQYQJAHWSA-N
  • 4-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL)-3-BUTEN-2-ONE;BETA-IONONE
  • 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
  • 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
  • 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
  • Ionone<(E)-beta->
  • (E)-.beta.-Ionone
  • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
  • 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
Title Journal or Book Year
Synthesis of retinals labelled with 13C in the cyclohexene ring Recueil des Travaux Chimiques des Pays-Bas 1989
A 13C‐NMR. Study of cis‐trans Isomeric Vitamins A, Carotenoids and Related Compounds Helvetica Chimica Acta 1975
Carbon Magnetic Resonance Spectra of α, β, γ, δ‐ and α, β, α′, β′‐ Unsaturated Ketones Helvetica Chimica Acta 1972

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