For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(6R)-2,2,6-TRIMETHYL-1,4-CYCLOHEXANEDIONE;(3R)-DIHYDRO-4-OXO-ISOPHORONE

Compound with spectra: 2 NMR

(6R)-2,2,6-TRIMETHYL-1,4-CYCLOHEXANEDIONE;(3R)-DIHYDRO-4-OXO-ISOPHORONE
SpectraBase Compound ID AJ55Aiv6IgF
InChI InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKey HVHHZSFNAYSPSA-ZCFIWIBFSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol
Enantiomer InChIKey HVHHZSFNAYSPSA-LURJTMIESA-N
Racemate InChIKey HVHHZSFNAYSPSA-UHFFFAOYSA-N

View Spectrum of (6R)-2,2,6-TRIMETHYL-1,4-CYCLOHEXANEDIONE;(3R)-DIHYDRO-4-OXO-ISOPHORONE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of (6R)-2,2,6-TRIMETHYL-1,4-CYCLOHEXANEDIONE;(3R)-DIHYDRO-4-OXO-ISOPHORONE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • (6R)-2,2,6-TRIMETHYL-CYCLOHEXANE-1,4-DIONE
1,4-Cyclohexanedione, 2,2,6-trimethyl-
2,2,4,6-tetramethylcyclohexan-1-one
2,2-DIMETHYLCYCLOTETRADECANE-1,4-DIONE
Mixture of 6-n-butyl-2,2-dimethylcyclohexanone and 2-n-butyl-2,6-dimethylcyclo hexanone
(3S,6R)-2,2,3,6-TETRAMETHYLCYClOHEXAN-1-ONE
3-ACETYL-3-METHYL-CYClOHEXANONE
3,3-dimethyl-2-oxocyclohexanecarbonitrile
2,4,4,5,5,7-Hexamethyl-nona-3,6-dione
5-tert-butyl-2,2-dimethylcyclopentanone
Methyl 10,13-dioxo-11-methyl-octadecanoate
Title Journal or Book Year
Microbial conversion of 4-oxoisophorone by Aspergillus niger. Agricultural and Biological Chemistry 1988
Microbial conversion of 4-oxoisophorone by thermophile, Thermomonospora curvata. Agricultural and Biological Chemistry 1984

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.