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Zirconium, bis(.eta.5-2,4-cyclopentadien-1-yl)bis[(1,2,3,4,5-.eta.)-1-(1,1-dimethylethyl)-2,4-cyclopentadien-1-yl]bis[.mu.-[(1-.eta.:1,2-.eta.)-phenylethynyl]]di

View entire compound with spectra: 1 MS (GC)

Zirconium, bis(.eta.5-2,4-cyclopentadien-1-yl)bis[(1,2,3,4,5-.eta.)-1-(1,1-dimethylethyl)-2,4-cyclopentadien-1-yl]bis[.mu.-[(1-.eta.:1,2-.eta.)-phenylethynyl]]di
SpectraBase Compound ID LwSvhp6qAmq
InChI InChI=1S/2C9H13.2C8H5.2C5H5.2Zr/c2*1-9(2,3)8-6-4-5-7-8;2*1-2-8-6-4-3-5-7-8;2*1-2-4-5-3-1;;/h2*4-7H,1-3H3;2*3-7H;2*1-5H;;
InChIKey YQUQURAHRZYWMJ-UHFFFAOYSA-N
Mol Weight 739.16 g/mol
Molecular Formula C44H28Zr2
Exact Mass 736.028499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWiFxOmWTLl
Name Zirconium, bis(.eta.5-2,4-cyclopentadien-1-yl)bis[(1,2,3,4,5-.eta.)-1-(1,1-dimethylethyl)-2,4-cyclopentadien-1-yl]bis[.mu.-[(1-.eta.:1,2-.eta.)-phenylethynyl]]di
CAS Registry Number 119108-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H46Zr2
InChI InChI=1S/2C9H13.2C8H5.2C5H5.2Zr/c2*1-9(2,3)8-6-4-5-7-8;2*1-2-8-6-4-3-5-7-8;2*1-2-4-5-3-1;;/h2*4-7H,1-3H3;2*3-7H;2*1-5H;;
InChIKey YQUQURAHRZYWMJ-UHFFFAOYSA-N
Molecular Weight 739.156 g/mol
SMILES [C]1[C][C][C][C]1.CC([C]1[C][C][C][C]1)(C)C.[C]1[C][C][C][C]1.c1cc([C]=[C][Zr])ccc1.CC([C]1[C][C][C][C]1)(C)C.c1ccccc1[C]=[C][Zr]
SPLASH splash10-00lr-0039000200-c31db5d6b7648e180301
Wiley ID 1498243