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[4,5-ETA(2)-[OS(NH3)5]-1,3-DIMETHYLPYRROLE]-(BPH4)2

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[4,5-ETA(2)-[OS(NH3)5]-1,3-DIMETHYLPYRROLE]-(BPH4)2
SpectraBase Compound ID FpOQi0hRwGj
InChI InChI=1S/2C24H20B.C6H9N.5H3N.Os/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-6-3-4-7(2)5-6;;;;;;/h2*1-20H;3-5H,1-2H3;5*1H3;/q2*-1;;;;;;;+2
InChIKey QDIOTQNEKLUWLC-UHFFFAOYSA-N
Mol Weight 1009.0 g/mol
Molecular Formula C54H64B2N6Os
Exact Mass 1010.499336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5EHjXjiWgI
Name [4,5-ETA(2)-[OS(NH3)5]-1,3-DIMETHYLPYRROLE]-(BPH4)2
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H64B2N6Os
InChI InChI=1S/2C24H20B.C6H9N.5H3N.Os/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-6-3-4-7(2)5-6;;;;;;/h2*1-20H;3-5H,1-2H3;5*1H3;/q2*-1;;;;;;;+2
InChIKey QDIOTQNEKLUWLC-UHFFFAOYSA-N
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 1008.962 g/mol
Solvent H2O:D2O=4:1
Source File Reference UWSP10223