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Bis(eta5-tert-butylcyclopentadienyl)toluol-3,4-dithiolatotitan(IV)
SpectraBase Compound ID ATEoVPVVgAA
InChI InChI=1S/2C9H13.C7H8S2.Ti/c2*1-9(2,3)8-6-4-5-7-8;1-5-2-3-6(8)7(9)4-5;/h2*4-7H,1-3H3;2-4,8-9H,1H3;/q2*-1;;+4/p-2
InChIKey SFEJUJWTTHQPSJ-UHFFFAOYSA-L
Mol Weight 444.52 g/mol
Molecular Formula C25H32S2Ti
Exact Mass 444.142484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkFJkkiE7e3
Name Bis(eta5-tert-butylcyclopentadienyl)toluol-3,4-dithiolatotitan(IV)
Alternate Name(s) Titanium(IV) bis(1-(tert-butyl)cyclopenta-2,4-dien-1-ide) 4-methylbenzene-1,2-bis(thiolate)
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Formula C25H32S2Ti
InChI InChI=1S/2C9H13.C7H8S2.Ti/c2*1-9(2,3)8-6-4-5-7-8;1-5-2-3-6(8)7(9)4-5;/h2*4-7H,1-3H3;2-4,8-9H,1H3;/q2*-1;;+4/p-2
InChIKey SFEJUJWTTHQPSJ-UHFFFAOYSA-L
Molecular Weight 444.518 g/mol
SMILES [Ti+4].c1(C)cc(c(cc1)[S-])[S-].c1c[c-](cc1)C(C)(C)C.c1c[c-](cc1)C(C)(C)C
SPLASH splash10-00di-0009400000-2fe35594ac6f006618e2
Source of Spectrum DZ-620-1810-4a
Wiley ID 1797829