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bis{[.eta.(5)-pentamethylcyclopentadienyl][(N'-anilino)phenylamine]zirconium}

View entire compound with spectra: 1 MS (GC)

bis{[.eta.(5)-pentamethylcyclopentadienyl][(N'-anilino)phenylamine]zirconium}
SpectraBase Compound ID 7BVMpnEsLR6
InChI InChI=1S/2C12H11N2.2C10H15.2Zr/c2*1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;2*1-6-7(2)9(4)10(5)8(6)3;;/h2*1-10,13H;2*1-5H3;;/q2*-1;;;2*+1
InChIKey QXUJFLQIXBIAJZ-UHFFFAOYSA-N
Mol Weight 819.38 g/mol
Molecular Formula C44H52N4Zr2
Exact Mass 816.228595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfSB1ggEUFC
Name bis{[.eta.(5)-pentamethylcyclopentadienyl][(N'-anilino)phenylamine]zirconium}
CAS Registry Number 139042-53-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H52N4Zr2
InChI InChI=1S/2C12H11N2.2C10H15.2Zr/c2*1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;2*1-6-7(2)9(4)10(5)8(6)3;;/h2*1-10,13H;2*1-5H3;;/q2*-1;;;2*+1
InChIKey QXUJFLQIXBIAJZ-UHFFFAOYSA-N
Molecular Weight 819.376 g/mol
SMILES N(N([Zr]1234[C@]5(C)[C@@]4(C)[C@]1(C)[C@@]2(C)[C@]35C)c1ccccc1)c1ccccc1.N(N([Zr]1234[C@]5(C)[C@]4(C)[C@@]1(C)[C@@]2(C)[C@]35C)c1ccccc1)c1ccccc1
SPLASH splash10-001i-0000009040-75631bed25a378e4629c
Source of Spectrum K-125-829-5
Synonyms bis(1-{2,3,4,5,6-pentamethyl-1-zirconapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan-1-yl}-1,2-diphenylhydrazine)
Wiley ID 1417388