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Cyclopentadienyl[1-(4-[2.2]paracyclophanyl)ethylcyclopentadienyl]titanium Dichloride
SpectraBase Compound ID K31He7TQUrN
InChI InChI=1S/C23H23.C5H5.2ClH.Ti/c1-17(21-4-2-3-5-21)23-16-20-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-20;1-2-4-5-3-1;;;/h2-9,13,15-17H,10-12,14H2,1H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKey ZNZJTKSPJFGQMW-UHFFFAOYSA-L
Mol Weight 483.31 g/mol
Molecular Formula C28H28Cl2Ti
Exact Mass 482.104747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8l9TYBlfZBm
Name Cyclopentadienyl[1-(4-[2.2]paracyclophanyl)ethylcyclopentadienyl]titanium Dichloride
Alternate Name(s) Titanium(IV) 2-(1-(1,4(1,4)-dibenzenacyclohexaphane-1(2)-yl)ethyl)cyclopenta-2,4-dien-1-ide dichloride cyclopenta-2,4-dien-1-ide
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Formula C28H28Cl2Ti
InChI InChI=1S/C23H23.C5H5.2ClH.Ti/c1-17(21-4-2-3-5-21)23-16-20-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-20;1-2-4-5-3-1;;;/h2-9,13,15-17H,10-12,14H2,1H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKey ZNZJTKSPJFGQMW-UHFFFAOYSA-L
Literature Reference DOI 10.1002_1099-0682(20021)2002_1_123
Molecular Weight 483.305 g/mol
SMILES c1c2ccc(c1)CCc1ccc(CC2)cc1C(c1[cH-]ccc1)C.[Cl-].[Cl-].[Ti+4].[cH-]1cccc1
SPLASH splash10-0292-0966700000-27eddd9ad82e44f86090
Source of Spectrum U2-2002-129-12
Wiley ID 1793176