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3-Oxohexanoic acid ethyl ester

Compound with spectra: 3 NMR, 5 FTIR, 1 Raman, 7 MS (GC), and 2 Near IR

3-Oxohexanoic acid ethyl ester
SpectraBase Compound ID 4eKnKLlYpkj
InChI InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
InChIKey KQWWVLVLVYYYDT-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

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FTIR Spectrum
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Technique Cell

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FTIR 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 W368318
Technique Between salts

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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 E15809
Technique Neat

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Near IR Spectrum
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, Germany

View Spectrum of 3-Oxohexanoic acid ethyl ester

Near IR Spectrum
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, 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

View Spectrum of 3-Oxohexanoic acid ethyl ester

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

View Spectrum of 3-Oxohexanoic acid ethyl ester

MS (GC) Spectrum
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Sample SAFC Cat.no. W368318
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum LQ-1992-817-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-983-5

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

View Spectrum of 3-Oxohexanoic acid ethyl ester

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

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1H NMR Spectrum
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3

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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 E15809
Solvent CDCl3

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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 E15809

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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 W368318

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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 E15809
Solvent CDCl3

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Raman Spectrum
Copyright Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number E15809
  • Ethyl 3-oxohexanoate
  • Hexanoate <3-oxo-, ethyl->
  • Hexanoic acid, 3-oxo-, ethyl ester
  • Ethyl butyrylacetate
  • Ethyl butyroacetate
  • Ethyl .alpha.-butyrylacetate
  • Ethyl 3-oxidanylidenehexanoate
  • 3-Keto-n-hexanoic acid ethyl ester
  • 3-ketohexanoic acid ethyl ester
[2,3-13C2]-ETHYL-3-KETOHEXANOATE
Methyl 3-oxohexanoate
Tetrahydropyran-2,4-dione
ETHYL-GAMMA-BROMOACETOACETATE
ETHYL-GAMMA-HYDROXYACETOACETATE
3-Oxo-heptanoic acid, methyl ester
6-Chloro-3-oxo-hexanoic Acid Methyl Ester
5-Methoxy-3-oxopentanoic acid methyl ester
Hexanoic acid, 5-methyl-3-oxo-, methyl ester
Pentanoic acid, 3,5-dioxo-, methyl ester
Butanoic acid, 3-oxo-, 2-chloroethyl ester
3-Oxohexanoic acid ethyl ester
Hexanoic acid, 3-oxo-, ethyl ester
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