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3,3-Dimethyl-cyclohexanone

Compound with spectra: 12 NMR, 3 FTIR, 1 Raman, and 2 MS (GC)

3,3-Dimethyl-cyclohexanone
SpectraBase Compound ID EZUh2pjObhn
InChI InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3
InChIKey ZVJQBBYAVPAFLX-UHFFFAOYSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

View Spectrum of 3,3-Dimethyl-cyclohexanone

FTIR Spectrum
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Technique Cell

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FTIR Spectrum
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 H28000
Technique Neat

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample A. Hardt, W. Bremser BASF Ludwigshafen (1982)
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCL3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent not reported

View Spectrum of 3,3-Dimethyl-cyclohexanone

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent not reported

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown

View Spectrum of 3,3-Dimethyl-cyclohexanone

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

View Spectrum of 3,3-Dimethyl-cyclohexanone

13C NMR Spectrum
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 515515
Solvent CDCl3

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17O NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DIOXANE

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17O NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Dioxane

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Raman Spectrum
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 H28000

View Spectrum of 3,3-Dimethyl-cyclohexanone

ATR-IR Spectrum
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 H28000

View Spectrum of 3,3-Dimethyl-cyclohexanone

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum J-61-8893-5

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F-43-277-16

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1H NMR Spectrum
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 515515
Solvent CDCl3
  • 3,3-Dimethylcyclohexane-1-one
  • 1,1-Dimethylcyclohex-3-one
  • ZVJQBBYAVPAFLX-UHFFFAOYSA-N
  • Cyclohexanone, 3,3-dimethyl-
3,3-dimethylcyclopentan-1-one
3,3-Dimethylheptanoic acid
6,6-Dimethyl-2,10-undecanedione
6-BROMO-4,4-DIMETHYL-2-HEXANONE
2,2-Dimethyloct-7-en-4-one
MDJBTUSQPJZKCW-UHFFFAOYSA-N
Cyclobutanone, 3-(2-hydroxyethyl)-3-methyl-
4,4-DIMETHYLCYCLOHEXANONE
2,4-Heptanedione, 6,6-dimethyl-
3,3-Dimethyl-5-oxohexanal
Title Journal or Book Year
Oxygen-17 nuclear magnetic resonance. 2. Cyclohexanones The Journal of Organic Chemistry 1979
13C-NMR. Spectroscopy of Naturally Occurring Substances. XXXV. Labdanic diterpenes Helvetica Chimica Acta 1975
Other Resources
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