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[4,5-ETA(2)-[OS(NH3)5]-1-METHYL-3-(3-OXOBUTYL)-PYRROLE]-(OTF)2
SpectraBase Compound ID DFZ1FUWWHlw
InChI InChI=1S/C9H13NO.2CHF3O3S.5H3N.Os/c1-8(11)3-4-9-5-6-10(2)7-9;2*2-1(3,4)8(5,6)7;;;;;;/h5-7H,3-4H2,1-2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKey IGGLPUUXDWBGGE-UHFFFAOYSA-L
Mol Weight 724.72 g/mol
Molecular Formula C11H28F6N6O7OsS2
Exact Mass 726.097989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kd09nFA5uZJ
Name [4,5-ETA(2)-[OS(NH3)5]-1-METHYL-3-(3-OXOBUTYL)-PYRROLE]-(OTF)2
Compound Number 27A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H28F6N6O7OsS2
InChI InChI=1S/C9H13NO.2CHF3O3S.5H3N.Os/c1-8(11)3-4-9-5-6-10(2)7-9;2*2-1(3,4)8(5,6)7;;;;;;/h5-7H,3-4H2,1-2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKey IGGLPUUXDWBGGE-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 724.690 g/mol
Solvent D2O
Source File Reference UWSP10227