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Titanium, (.eta.5-2,4-cyclopentadien-1-yl)[(1,2,3,4,5,6,7-.eta.)phenylcyclohept atrienylium]-
SpectraBase Compound ID IzbRbA0NZhY
InChI InChI=1S/C13H11.C5H5.Ti/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13;1-2-4-5-3-1;/h1-11H;1-5H;
InChIKey QKMSZSDAADVUEX-UHFFFAOYSA-N
Mol Weight 280.19 g/mol
Molecular Formula C18H16Ti
Exact Mass 280.073141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILvxnrlTcy2
Name Titanium, (.eta.5-2,4-cyclopentadien-1-yl)[(1,2,3,4,5,6,7-.eta.)phenylcyclohept atrienylium]-
CAS Registry Number 58105-84-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16Ti
InChI InChI=1S/C13H11.C5H5.Ti/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13;1-2-4-5-3-1;/h1-11H;1-5H;
InChIKey QKMSZSDAADVUEX-UHFFFAOYSA-N
Molecular Weight 280.193 g/mol
SMILES [C@]12([Ti]3456789%10%11([C@@]1([C@]7([C@]3([C@]4([C@]5([C@@]26[H])[H])[H])[H])[H])[H])[C@]1([C@@]8([C@@]9([C@@]%10([C@@]%111[H])[H])[H])[H])[H])c1ccccc1
SPLASH splash10-001i-3490000000-d4d3acce6e1cd53fe983
Source of Spectrum AG-102-51-4
Synonyms (.eta.7-phenylcycloheptatrienyl)(.eta.5-cyclopentadienyl)titanium 3-Phenyl-1-titanaspiro[heptacyclo[3.3.0.0(1,3).0(1,4).0(1,6).0(1,7).0(2,8)]octane-1,1'-pentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane] Cycloheptatrienylium, phenyl-, titanium complex
Wiley ID 1284292