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[3,4-ETA(2)-[OS(NH3)5]-2-METHYL-2-AZABICYClO-[3.2.0]-6,7-DICARBOMETHOXY-3,6-HEPTADIENE]-(OTF)2
SpectraBase Compound ID 2TgsHbCvM9D
InChI InChI=1S/C11H13NO4.2CHF3O3S.5H3N.Os/c1-12-5-4-6-7(10(13)15-2)8(9(6)12)11(14)16-3;2*2-1(3,4)8(5,6)7;;;;;;/h4-6,9H,1-3H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2/t6-,9-;;;;;;;;/m1......../s1
InChIKey SVLVRXWQTJXSTK-GHEBPJMUSA-L
Mol Weight 796.74 g/mol
Molecular Formula C13H28F6N6O10OsS2
Exact Mass 798.082732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSTHRWqjkVB
Name [3,4-ETA(2)-[OS(NH3)5]-2-METHYL-2-AZABICYClO-[3.2.0]-6,7-DICARBOMETHOXY-3,6-HEPTADIENE]-(OTF)2
Compound Number 3 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H28F6N6O10OsS2
InChI InChI=1S/C11H13NO4.2CHF3O3S.5H3N.Os/c1-12-5-4-6-7(10(13)15-2)8(9(6)12)11(14)16-3;2*2-1(3,4)8(5,6)7;;;;;;/h4-6,9H,1-3H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2/t6-,9-;;;;;;;;/m1......../s1
InChIKey SVLVRXWQTJXSTK-GHEBPJMUSA-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 796.710 g/mol
Solvent DMSO-D6
Source File Reference UWSP10261