Butyl(eta5-cyclopentadienyl)[eta5:eta1-1-(4-[2.2]paracyclophanyl)ethylcyclopentadienyl]zirconium

SpectraBase Compound ID	2tVOcJjail9
InChI	InChI=1S/C23H23.C5H5.C4H9.Zr/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;1-3-4-2;/h2-9,13,15-17H,10-12,14H2,1H3;1-5H;1,3-4H2,2H3;/q3*-1;+3
InChIKey	SRXKTVYFERUCLN-UHFFFAOYSA-N Google Search
Mol Weight	512.87 g/mol
Molecular Formula	C32H37Zr
Exact Mass	511.194225 g/mol

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SpectraBase Spectrum ID	J88ZAmjkFzn
Name	Butyl(eta5-cyclopentadienyl)[eta5:eta1-1-(4-[2.2]paracyclophanyl)ethylcyclopentadienyl]zirconium
Alternate Name(s)	zirconium(III) 2-(1-(1,4(1,4)-dibenzenacyclohexaphane-1(2)-yl)ethyl)cyclopenta-2,4-dien-1-ide butan-1-ide cyclopenta-2,4-dien-1-ide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H37Zr
InChI	InChI=1S/C23H23.C5H5.C4H9.Zr/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;1-3-4-2;/h2-9,13,15-17H,10-12,14H2,1H3;1-5H;1,3-4H2,2H3;/q3*-1;+3
InChIKey	SRXKTVYFERUCLN-UHFFFAOYSA-N
Literature Reference DOI	10.1002_1099-0682(20021)2002_1_123
Molecular Weight	512.872 g/mol
SMILES	c1c2ccc(c1)CCc1ccc(CC2)cc1C(c1[cH-]ccc1)C.[CH2-]CCC.[Zr+3].[cH-]1cccc1
SPLASH	splash10-0pba-0003900000-ff2baf742f98b54a0b4c
Source of Spectrum	U2-2002-130-15
Wiley ID	1793178