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Di-tert-butyl ketone

Compound with spectra: 20 NMR, 4 FTIR, 1 Raman, and 8 MS (GC)

Di-tert-butyl ketone
SpectraBase Compound ID DHoMXWCu5Ke
InChI InChI=1S/C9H18O/c1-8(2,3)7(10)9(4,5)6/h1-6H3
InChIKey UIQGEWJEWJMQSL-UHFFFAOYSA-N
Mol Weight 142.24 g/mol
Molecular Formula C9H18O
Exact Mass 142.135765 g/mol

View Spectrum of Di-tert-butyl ketone

MS (GC) Spectrum
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS (GC) Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum PR-1221-0-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of Di-tert-butyl ketone

MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of Di-tert-butyl ketone

MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AD-0-3563-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AD-0-2532-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum B-40-1998-2

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka AG, Buchs, Switzerland
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20

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13C NMR Spectrum
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Solvent CDCL3

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13C NMR Spectrum
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Solvent CS2

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13C NMR Spectrum
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Solvent CDCl3

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13C NMR Spectrum
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Solvent CS2

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13C NMR Spectrum
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Solvent CS2

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13C NMR Spectrum
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Solvent CDCl3

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13C NMR Spectrum
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Solvent CS2

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13C NMR Spectrum
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Solvent CS2

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13C NMR Spectrum
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Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CS2

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CS2

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 282618
Solvent CDCl3

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Raman Spectrum
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17O NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown

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17O NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:DMSO=2:1

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17O NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown

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17O NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported

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Vapor Phase IR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.

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Vapor Phase IR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 282618

View Spectrum of Di-tert-butyl ketone

ATR-IR Spectrum
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 282618

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1H NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 282618
Solvent CDCl3

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FTIR Spectrum
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 282618
Technique Neat
  • 2,2,4,4-Tetramethyl-3-pentanone
  • 2,2,4,4-Tetramethylpentanone
  • 2,2,4,4-Tetramethyl-pentan-3-one
  • di-Tert.-butylketon
  • 3-Pentanone, 2,2,4,4-tetramethyl-
  • Pivalone
  • Hexamethylacetone
  • (T-C4H9)2CO
  • NSC 848
  • EINECS 212-419-8
  • AI3-11096
2,2-Dimethyl-3-pentanone
3,3-Dimethyl-2-oxobutanal
2,2,4,4-Tetramethyl-3-pentanone imine
2-tert-Butyl-3,3-dimethyl-1-butene
2,3-Pentanedione, 4,4-dimethyl-
2,4-Dibromo-2,4-dimethyl-3-pentanone
2,2-Dimethylpropanoic-acid;pivalinsaeure
2,2-Dimethylpropanoate; rubidium(1+)
Lithium 2,2-dimethylpropionate
Thiopivalic acid
Title Journal or Book Year
RMN 13 C de thiocétones - rǒle du groupement thiocarbonyle Recueil des Travaux Chimiques des Pays-Bas 1985
Oxygen-17 and selenium-77 nuclear magnetic resonance of carbonyl and selenocarbonyl compounds. Correlation of oxygen-17 and selenium-77 chemical shifts Journal of the Chemical Society, Perkin Transactions 2 1983
Spectroscopie RMN du Carbone-13 de Thiocétones Aliphatiques: Propanethione et Dérivés, Thiocétones Bicycliques et α Cyclopropaniques Organic Magnetic Resonance 1978
Résonance Magnétique Nucléaire de17O. Aldéhydes et cétones aliphatiques: additivité des effets de substitution et corrélation avec la13C-RMN Helvetica Chimica Acta 1976
Studies in nuclear magnetic resonance spectroscopy. Part VII. 13C and 1H spectra of aliphatic ketones and secondary alcohols. The negative inductive effect of methyl groups Journal of the Chemical Society B: Physical Organic 1970
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