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Titanium, (.eta.7-cycloheptatrienylium)[(1,2,3,4,5-.eta.)-1-(1,1-dimethylethyl) -2,4-cyclopentadien-1-yl]-
SpectraBase Compound ID 3WuitUYtbsg
InChI InChI=1S/C9H13.C7H7.Ti/c1-9(2,3)8-6-4-5-7-8;1-2-4-6-7-5-3-1;/h4-7H,1-3H3;1-7H;
InChIKey MLLJWJHXMOXRLM-UHFFFAOYSA-N
Mol Weight 260.2 g/mol
Molecular Formula C16H20Ti
Exact Mass 260.104442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Z6V63auF0f
Name Titanium, (.eta.7-cycloheptatrienylium)[(1,2,3,4,5-.eta.)-1-(1,1-dimethylethyl) -2,4-cyclopentadien-1-yl]-
CAS Registry Number 58057-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20Ti
InChI InChI=1S/C9H13.C7H7.Ti/c1-9(2,3)8-6-4-5-7-8;1-2-4-6-7-5-3-1;/h4-7H,1-3H3;1-7H;
InChIKey MLLJWJHXMOXRLM-UHFFFAOYSA-N
Molecular Weight 260.203 g/mol
SMILES [C@]12([Ti]3456789%10%11([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])[C@@]1([C@@]6([C@@]7([C@]8([C@]9([C@]%10([C@]%111[H])[H])[H])[H])[H])[H])[H])C(C)(C)C
SPLASH splash10-03di-3980000000-2f8ba5c27d6348003e81
Source of Spectrum AG-102-52-5
Synonyms (.eta.7-cycloheptatrienyl)(.eta.5-t-butylcyclopentadienyl)titanium 2'-tert-butyl-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, titanium complex
Wiley ID 1264084