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[4,5-ETA(2)-[OS(NH3)5]-6-METHYL-6-(METHYLAMINO)-2-AZAFULVENIUM]-(OTF)3
SpectraBase Compound ID 4ruO4UzqcBt
InChI InChI=1S/C7H10N2.3CHF3O3S.5H3N.Os/c1-6(8-2)7-3-4-9-5-7;3*2-1(3,4)8(5,6)7;;;;;;/h3-5,9H,1-2H3;3*(H,5,6,7);5*1H3;/q;;;;;;;;;+2/p-2/b8-6-;;;;;;;;;
InChIKey NVCNZFWPVSMQEQ-WUBOCTTDSA-L
Mol Weight 845.76 g/mol
Molecular Formula C10H26F9N7O9OsS3
Exact Mass 847.042522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47GGcYq5G8y
Name [4,5-ETA(2)-[OS(NH3)5]-6-METHYL-6-(METHYLAMINO)-2-AZAFULVENIUM]-(OTF)3
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H26F9N7O9OsS3
InChI InChI=1S/C7H10N2.3CHF3O3S.5H3N.Os/c1-6(8-2)7-3-4-9-5-7;3*2-1(3,4)8(5,6)7;;;;;;/h3-5,9H,1-2H3;3*(H,5,6,7);5*1H3;/q;;;;;;;;;+2/p-2/b8-6-;;;;;;;;;
InChIKey NVCNZFWPVSMQEQ-WUBOCTTDSA-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 845.724 g/mol
Solvent ACETONE-D6
Source File Reference UWSP10226