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[1,5-ETA(2)-[OS(NH3)5]-3-METHYL-2H-PYRROLIUM]-(OTF)3

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[1,5-ETA(2)-[OS(NH3)5]-3-METHYL-2H-PYRROLIUM]-(OTF)3
SpectraBase Compound ID DFFcMIGMBgg
InChI InChI=1S/C5H7N.3CHF3O3S.5H3N.Os/c1-5-2-3-6-4-5;3*2-1(3,4)8(5,6)7;;;;;;/h2-3H,4H2,1H3;3*(H,5,6,7);5*1H3;/q;;;;;;;;;+2/p-2
InChIKey FKOMITHSTRBCID-UHFFFAOYSA-L
Mol Weight 804.7 g/mol
Molecular Formula C8H23F9N6O9OsS3
Exact Mass 806.015973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Z6uaQHtAtz
Name [3,4-ETA(2)-[OS(NH3)5]-3-METHYL-2H-PYRROLIUM]-(OTF)3
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H23F9N6O9OsS3
InChI InChI=1S/C5H7N.3CHF3O3S.5H3N.Os/c1-5-2-3-6-4-5;3*2-1(3,4)8(5,6)7;;;;;;/h2-3H,4H2,1H3;3*(H,5,6,7);5*1H3;/q;;;;;;;;;+2/p-2
InChIKey FKOMITHSTRBCID-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 804.671 g/mol
Solvent CD3CN
Source File Reference UWSP10242