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zirconium(IV) 2-((4-(6-(9-borabicyclo[3.3.1]nonan-9-yl)-2-methylhexan-2-yl)cyclopenta-3,5-dien-2-ide-1-yl)dimethylsilyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-ide dichloride
SpectraBase Compound ID 68Mu47bDiie
InChI InChI=1S/C31H49BSi.2ClH.Zr/c1-22-23(2)25(4)30(24(22)3)33(7,8)29-18-17-26(21-29)31(5,6)19-9-10-20-32-27-13-11-14-28(32)16-12-15-27;;;/h17-18,21,27-28H,9-16,19-20H2,1-8H3;2*1H;/q-2;;;+4/p-2/t27-,28+;;;
InChIKey JBOHJUDDTONCBZ-RCVPBKAYSA-L
Mol Weight 622.76 g/mol
Molecular Formula C31H49BCl2SiZr
Exact Mass 620.212062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3qnxunPEdg
Name zirconium(IV) 2-((4-(6-(9-borabicyclo[3.3.1]nonan-9-yl)-2-methylhexan-2-yl)cyclopenta-3,5-dien-2-ide-1-yl)dimethylsilyl)-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-ide dichloride
Alternate Name(s) [3-[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-pentyl]cyclopenta-1,3-dien-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane zirconium(IV) dichloride
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Formula C31H49BCl2SiZr
InChI InChI=1S/C31H49BSi.2ClH.Zr/c1-22-23(2)25(4)30(24(22)3)33(7,8)29-18-17-26(21-29)31(5,6)19-9-10-20-32-27-13-11-14-28(32)16-12-15-27;;;/h17-18,21,27-28H,9-16,19-20H2,1-8H3;2*1H;/q-2;;;+4/p-2/t27-,28+;;;
InChIKey JBOHJUDDTONCBZ-RCVPBKAYSA-L
Molecular Weight 622.758 g/mol
SMILES [Zr+4].[cH-]1c(cc(c1)C(CCCCB1[C@]2(CCC[C@@]1(CCC2)[H])[H])(C)C)[Si](c1[c-](c(c(c1C)C)C)C)(C)C.[Cl-].[Cl-]
SPLASH splash10-0ab9-0004900000-49cff2f4e8f8260604f3
Source of Spectrum U2-2007-4452-12
Wiley ID 1791145