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2,6-Dimethyl-5-oxoheptanoic acid

Compound with spectra: 1 NMR, and 1 MS (GC)

2,6-Dimethyl-5-oxoheptanoic acid
SpectraBase Compound ID 2D2b7bENv8y
InChI InChI=1S/C9H16O3/c1-6(2)8(10)5-4-7(3)9(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKey KFSWOOWOYKTCDK-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

View Spectrum of 2,6-Dimethyl-5-oxoheptanoic acid

MS (GC) Spectrum
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Source of Spectrum AJ-76-181-2

View Spectrum of 2,6-Dimethyl-5-oxoheptanoic acid

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
4-Carboxycyclohexanone
1-HYDROXY-3,7-DIMETHYLOCTAN-6-ONE
2-Methyl-6-oxoheptanoic Acid
6-OXO-2-METHYL-HEPTANOIC-ACID
Methyl 2-methyl-5-oxohexanoate
2-ETHYL-5-OXO-HEXANOIC-ACID
Decanoic acid, 2-methyl-
3,7-DIMETHYL-6-OXOOCTANAL
2-METHYLUNDECANOIC ACID
Dodecanoic acid, 2-methyl-
Title Journal or Book Year
Oxidative cleavage of the C–C bond of 3,6-dialkylcyclohexane-1,2-diones by cell suspension cultures of Marchantia polymorpha Phytochemistry 2002

This compound is available in the following databases:

Wiley Registry of Mass Spectral Data 2023
Author: Wiley

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