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1,3-Dichloroacetone

Compound with spectra: 9 NMR, 7 FTIR, 2 Raman, and 6 MS (GC)

1,3-Dichloroacetone
SpectraBase Compound ID DoF2w54rZWT
InChI InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
InChIKey SUNMBRGCANLOEG-UHFFFAOYSA-N
Mol Weight 126.97 g/mol
Molecular Formula C3H4Cl2O
Exact Mass 125.96392 g/mol

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

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample EASTMAN ORGANIC CHEMICALS, ROCHESTER, NEW YORK
Catalog Number 1237
Technique CAPILLARY CELL: MELT

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MS (GC) Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-526-3

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum PG-1982-1623-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AD-0-5451-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum WS-1986-118-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum OS-6-390-0

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Eastman Organic Chemicals, Rochester, New York
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20

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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/DMSO-D6

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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 168548
Solvent CDCl3

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1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3

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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 168548
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 NEAT

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17O NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent H2O

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17O NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent H2O

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Raman Spectrum
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Spectrochem Pvt. Ltd., India
Source of Spectrum Bio-Rad Laboratories
Catalog Number 104274

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Raman Spectrum
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 168548

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ATR-IR Spectrum
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Spectrochem Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 104274

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ATR-IR Spectrum
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 168548

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Vapor Phase IR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.

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Vapor Phase IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 168548

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Vapor Phase IR 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 168548
  • 1,3-Dichloro-2-propanone
  • 2-Propanone, 1,3-dichloro-
  • 1,3-DICHLOROPROPAN-2-ONE
2-Butanone, 1-chloro-
1-Chloro-2-propanone
1-CHLORO-3-FLUOROACETONE
1-Bromo-3-chloroacetone
Chloroacetylchloride
Chloroacetic acid
Chloro-acetate anion
Chloroacetic acid sodium salt
1-Chlorobut-3-en-2-one
2-chloroacetyl fluoride
Title Journal or Book Year
Correlation of 17O NMR and 17O NQR data for some aromatic carbonyl compounds Journal of Magnetic Resonance (1969) 1986
A Nuclear Magnetic Resonance Study of the Reversible Hydration of Aliphatic Aldehydes and Ketones. I. Oxygen-17 and Proton Spectra and Equilibrium Constants Journal of the American Chemical Society 1967
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