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Bis{[1-(4-[2.2]paracyclophanyl)]ethylcyclopentadienyl}zirconium Dichloride
SpectraBase Compound ID JqUTdXLgCVM
InChI InChI=1S/2C23H23.2ClH.Zr/c2*1-17(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;;;/h2*2-9,13,15-17H,10-12,14H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKey RWPGNGFATQMHQF-UHFFFAOYSA-L
Mol Weight 761.0 g/mol
Molecular Formula C46H46Cl2Zr
Exact Mass 758.202356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4Sxqecgq8o
Name Bis{[1-(4-[2.2]paracyclophanyl)]ethylcyclopentadienyl}zirconium Dichloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H46Cl2Zr
InChI InChI=1S/2C23H23.2ClH.Zr/c2*1-17(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;;;/h2*2-9,13,15-17H,10-12,14H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKey RWPGNGFATQMHQF-UHFFFAOYSA-L
Literature Reference DOI 10.1002_1099-0682(20021)2002_1_123
Molecular Weight 761.004 g/mol
SMILES c1c2ccc(c1)CCc1ccc(CC2)cc1C(c1[cH-]ccc1)C.[Cl-].[Cl-].[Zr+4].c1c2ccc(c1)CCc1ccc(CC2)cc1C(c1[cH-]ccc1)C
SPLASH splash10-05mk-0904101000-6b1a256fad466fd102e2
Source of Spectrum U2-2002-129-11
Synonyms zirconium(IV) bis(2-(1-(1,4(1,4)-dibenzenacyclohexaphane-1(2)-yl)ethyl)cyclopenta-2,4-dien-1-ide) dichloride
Wiley ID 1793175