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[4,5-ETA(2)-[OS(NH3)5]-3-ACETYL-1-METHYLPYRROLE]-(OTF)2
SpectraBase Compound ID DXDUUlib34U
InChI InChI=1S/C7H9NO.2CHF3O3S.5H3N.Os/c1-6(9)7-3-4-8(2)5-7;2*2-1(3,4)8(5,6)7;;;;;;/h3-5H,1-2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKey PEGQCWQXZFMLGM-UHFFFAOYSA-L
Mol Weight 696.67 g/mol
Molecular Formula C9H24F6N6O7OsS2
Exact Mass 698.066688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FMr5nrCiioU
Name [4,5-ETA(2)-[OS(NH3)5]-3-ACETYL-1-METHYLPYRROLE]-(OTF)2
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H24F6N6O7OsS2
InChI InChI=1S/C7H9NO.2CHF3O3S.5H3N.Os/c1-6(9)7-3-4-8(2)5-7;2*2-1(3,4)8(5,6)7;;;;;;/h3-5H,1-2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKey PEGQCWQXZFMLGM-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 696.636 g/mol
Solvent ACETONE-D6
Source File Reference UWSP10225