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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
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Source of Spectrum Prof. Buback, University of Goettingen, Germany
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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
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Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
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Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
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Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
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
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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 HRC-11-190-beta-ionone (DOI: 10.1002/jhrc.1240110209)
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Source of Spectrum HRC-12-707-beta-ionone (DOI: 10.1002/jhrc.1240121103)
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Source of Spectrum HRC-12-707-beta-ionone (DOI: 10.1002/jhrc.1240121103)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum CRT-6-543-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum CBD-19-5-A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-1341-1
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Source of Spectrum EP-5385-0-0
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Source of Spectrum PR-185-0-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
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Source of Spectrum LQ-1992-1460-0
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Source of Spectrum UT-1990-84-0
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Source of Spectrum A5-0-11-0
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Source of Spectrum LQ-1992-227-0
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Source of Spectrum JZ-1992-4017-0
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Source of Spectrum O-2-2341-0
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Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SFA-100-947-.beta.-ionone
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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 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 CD2Cl2
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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 Benzene-F6
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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 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 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 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 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
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
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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 2010
A13C-NMR. Study ofcis-trans Isomeric Vitamins A, Carotenoids and Related Compounds Helvetica Chimica Acta 1975
Carbon Magnetic Resonance Spectra of ?, ?, ?, ?- and ?, ?, ??, ??- Unsaturated Ketones Helvetica Chimica Acta 1972

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