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1-[Cyclopenta-2,4-dien-1-ylidene(p-tolyl)methyl]-4-methyl-benzene;1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-ide titanium(III) dichloride
SpectraBase Compound ID 3DKX5vhSg9E
InChI InChI=1S/C20H18.C10H15.2ClH.Ti/c1-15-7-11-18(12-8-15)20(17-5-3-4-6-17)19-13-9-16(2)10-14-19;1-6-7(2)9(4)10(5)8(6)3;;;/h3-14H,1-2H3;1-5H3;2*1H;/q;-1;;;+3/p-2
InChIKey GXNQUNQGVDOCCI-UHFFFAOYSA-L
Mol Weight 512.37 g/mol
Molecular Formula C30H33Cl2Ti
Exact Mass 511.143872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CDIwkeNutG
Name 1-[Cyclopenta-2,4-dien-1-ylidene(p-tolyl)methyl]-4-methyl-benzene;1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-ide titanium(III) dichloride
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Formula C30H33Cl2Ti
InChI InChI=1S/C20H18.C10H15.2ClH.Ti/c1-15-7-11-18(12-8-15)20(17-5-3-4-6-17)19-13-9-16(2)10-14-19;1-6-7(2)9(4)10(5)8(6)3;;;/h3-14H,1-2H3;1-5H3;2*1H;/q;-1;;;+3/p-2
InChIKey GXNQUNQGVDOCCI-UHFFFAOYSA-L
Molecular Weight 512.367 g/mol
SMILES C=1C=CC(C1)=C(c1ccc(cc1)C)c1ccc(cc1)C.[Cl-].[Cl-].[Ti+3].c1(c(c([c-](c1C)C)C)C)C
SPLASH splash10-004r-0690600000-8cce9c849baaeaac852a
Source of Spectrum DZ-628-801-6
Wiley ID 1798416