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[3-BETA,4-BETA-ETA(2)-[OS(NH3)5]-1-METHYL-3H-PYRROLIUM]-(OTF)3
SpectraBase Compound ID AQxZA0rfI9s
InChI InChI=1S/C5H8N.3CHF3O3S.5H3N.Os/c1-6-4-2-3-5-6;3*2-1(3,4)8(5,6)7;;;;;;/h2,4-5H,3H2,1H3;3*(H,5,6,7);5*1H3;/q+1;;;;;;;;;+2/p-3
InChIKey ICSXZWWQUJUKKN-UHFFFAOYSA-K
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 I1YI3smwrlZ
Name [3-BETA,4-BETA-ETA(2)-[OS(NH3)5]-1-METHYL-3H-PYRROLIUM]-(OTF)3
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H23F9N6O9OsS3
InChI InChI=1S/C5H8N.3CHF3O3S.5H3N.Os/c1-6-4-2-3-5-6;3*2-1(3,4)8(5,6)7;;;;;;/h2,4-5H,3H2,1H3;3*(H,5,6,7);5*1H3;/q+1;;;;;;;;;+2/p-3
InChIKey ICSXZWWQUJUKKN-UHFFFAOYSA-K
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 ACETONE-D6
Source File Reference UWSP10246