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4-Methyl-3-oxovaleric acid ethyl ester

Compound with spectra: 9 NMR, 6 FTIR, and 4 MS (GC)

4-Methyl-3-oxovaleric acid ethyl ester
SpectraBase Compound ID 1pyBoTIs0KF
InChI InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3
InChIKey XCLDSQRVMMXWMS-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

View Spectrum of 4-Methyl-3-oxovaleric acid ethyl ester

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-0-982-1

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

View Spectrum of 4-Methyl-3-oxovaleric acid ethyl ester

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JX-2012-61

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 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
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 CDCl3

View Spectrum of 4-Methyl-3-oxovaleric acid ethyl ester

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 © 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 E33203
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 E33203
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 CDCl3

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Technique CAPILLARY CELL: NEAT

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FTIR 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 E33203
Technique Neat

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ATR-IR Spectrum
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number E0882

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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 E33203

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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 © 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 E33203
  • Ethyl 4-methyl-3-oxopentanoate
  • Pentanoic acid, 4-methyl-3-oxo-, ethyl ester
  • VALERIC ACID, 4-METHYL-3-OXO-, ETHYL ESTER
  • Ethyl isobutyrylacetate
  • 4-Methyl-3-oxo-pentanoic acid, ethyl ester
  • Isobutyrylacetic acid ethyl ester
Ethyl 5-methoxy-3-oxopentanoate
3-oxoglutaric acid, diethyl ester
Tetrahydropyran-2,4-dione
BUTANOIC ACID, 3-OXO-, PENTYL ESTER
Methyl pivaloylacetate
2-Methoxyethyl acetoacetate
Butanoic acid, 3-oxo-, hexyl ester
Ethyl (S)-4-Methylhexanoate
4-Methylhexanoic acid ethyl ester
(E)-2-butenyl 3-oxobutanoate
Title Journal or Book Year
10.1002/(sici)1097-458x(199606)34:6<467::aid-omr906>3.3.co;2-c "" ""
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