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

*Links on SpectraBase are not permalinks.
3-CHLORO-2,4,6-TRIMETHYL-R-2,T-5,C-6-TRINITROCYCLOHEX-3-ENONE
SpectraBase Compound ID IbcCbCZsu13
InChI InChI=1S/C9H10ClN3O7/c1-4-5(10)8(2,12(17)18)7(14)9(3,13(19)20)6(4)11(15)16/h6H,1-3H3/t6-,8-,9-/m1/s1
InChIKey HMNBHPJIXKDFHT-FTLITQJKSA-N
Mol Weight 307.65 g/mol
Molecular Formula C9H10ClN3O7
Exact Mass 307.020727 g/mol
Enantiomer InChIKey HMNBHPJIXKDFHT-XVYDVKMFSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Nitration of 4-Chloro-2,3,6-trimethylphenol, 3-Chloro-2,4,6-trimethylphenol and 2,3,4,6-Tetramethylphenol; 15N-Labeling Studies in the Reaction of 2,3,4,6-Tetramethyl-4-nitrocyclohexa-2,5-dienone With Nitrogen Dioxide Australian Journal of Chemistry 1993

This compound is available in the following databases:

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.

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.