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3-Oxohexanedioic acid dimethyl ester

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

3-Oxohexanedioic acid dimethyl ester
SpectraBase Compound ID HIUsj4zYdcu
InChI InChI=1S/C8H12O5/c1-12-7(10)4-3-6(9)5-8(11)13-2/h3-5H2,1-2H3
InChIKey CMGTZMRSJJKAPM-UHFFFAOYSA-N
Mol Weight 188.18 g/mol
Molecular Formula C8H12O5
Exact Mass 188.068473 g/mol

View Spectrum of 3-Oxohexanedioic acid dimethyl 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-Oxohexanedioic acid dimethyl ester

MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum HE-1986-2192-0

View Spectrum of 3-Oxohexanedioic acid dimethyl ester

MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum G4-64-326-4

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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

View Spectrum of 3-Oxohexanedioic acid dimethyl ester

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 D167606
Solvent CDCl3

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

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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 D167606

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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 D167606
Solvent CDCl3
  • ADIPIC ACID, 3-OXO-, DIMETHYL ESTER
  • Dimethyl beta-ketoadipate
  • Hexanedioic acid, 3-oxo-, dimethyl ester
  • 3-ketoadipic acid dimethyl ester
  • Dimethyl 3-oxohexanedioate
  • CMGTZMRSJJKAPM-UHFFFAOYSA-N
  • Dimethyl 3-oxoadipate
  • Dimethyl 3-oxidanylidenehexanedioate
  • EINECS 226-716-5
Heptanoic acid, 4,6-dioxo-, methyl ester
Octanoic acid, 3-oxo-, methyl ester
7-Octenoic acid, 3-oxo-, methyl ester
Nonanoic acid, 3-oxo-, methyl ester
6-Methyl-3-oxoheptanoic acid methyl ester
3-Ketooct-6-ynoic acid methyl ester
Methyl 8-bromo-3-oxo-octanoate
Dodecanedioic acid, 3,10-dioxo-, dimethyl ester
3-Oxodecanoic acid, methyl ester
Octadecanedioic acid, 3,16-dioxo-, dimethyl ester
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