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[3-BETA,4-BETA-ETA(2)-[OS(NH3)5]-2-BETA,5-DIMETHYL-2-ALPHA-(3-OXOBUTYL)-2H-PYRROLE]-(OTF)2
SpectraBase Compound ID IIUgrFxTRFS
InChI InChI=1S/C10H15NO.2CHF3O3S.5H3N.Os/c1-8-4-6-10(3,11-8)7-5-9(2)12;2*2-1(3,4)8(5,6)7;;;;;;/h4,6H,5,7H2,1-3H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKey HFVORIFHQHOGOU-UHFFFAOYSA-L
Mol Weight 738.75 g/mol
Molecular Formula C12H30F6N6O7OsS2
Exact Mass 740.113639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6H9AACqcORO
Name [3-BETA,4-BETA-ETA(2)-[OS(NH3)5]-2-BETA,5-DIMETHYL-2-ALPHA-(3-OXOBUTYL)-2H-PYRROLE]-(OTF)2
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H30F6N6O7OsS2
InChI InChI=1S/C10H15NO.2CHF3O3S.5H3N.Os/c1-8-4-6-10(3,11-8)7-5-9(2)12;2*2-1(3,4)8(5,6)7;;;;;;/h4,6H,5,7H2,1-3H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKey HFVORIFHQHOGOU-UHFFFAOYSA-L
Literature Reference Author L.M.HODGES,J.GONZALEZ,J.I.KOONTZ,W.H.MYERS,W.D.HARMAN
Literature Reference Citation J.ORG.CHEM.,60,2125(1995)
Literature Reference DOI 10.1021/jo00112a037
Molecular Weight 738.717 g/mol
Solvent DMSO-D6
Source File Reference UWSP10234