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1-METHYL-6,9-EPOXY-9-(2,4-DICHLOROPHENYL)-5,6,9,10-TETRAHYDRO-(1H)-IMIDAZO-[3,2-E]-[(2H)-1,5]-OXAZOCINIUM_METHANESULFONATE
SpectraBase Compound ID 7Bf5IgQVLE4
InChI InChI=1S/C15H15Cl2N2O2.CH4O3S/c1-18-4-5-19-8-11-9-20-15(21-11,7-14(18)19)12-3-2-10(16)6-13(12)17;1-5(2,3)4/h2-6,11H,7-9H2,1H3;1H3,(H,2,3,4)/q+1;/p-1/t11-,15+;/m0./s1
InChIKey MGJMMRYWIJKLFU-OTKFKWBMSA-M
Mol Weight 421.3 g/mol
Molecular Formula C16H18Cl2N2O5S
Exact Mass 420.031348 g/mol
Parent InChIKey VCHJNQQARTZMKP-XHDPSFHLSA-M
Enantiomer InChIKey MGJMMRYWIJKLFU-BTAXJDQBSA-M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent D2O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Synthesis,1H- and13C-NMR spectra, crystal structure and ring openings of 1-methyl-6,9-epoxy-9-aryl-5,6,9,10-tetrahydro-1H-imidazo [3,2-e] [2H-1,5] oxazocinium methanesulfonate Journal of Heterocyclic Chemistry 1997
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