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2-Titanabicyclo[3.1.0]hex-3-ene, 3,4-dimethyl-1,5-diphenyl-bis(.eta.-5-cyclopentadienyl)-
SpectraBase Compound ID Had1fPmrMhh
InChI InChI=1S/C19H18.2C5H5.Ti/c1-3-15(2)19(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;2*1-2-4-5-3-1;/h4-13H,14H2,1-2H3;2*1-5H;
InChIKey DBLUDZOSXXHXEJ-UHFFFAOYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C29H28Ti
Exact Mass 424.167042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjlGUKsDLgX
Name 2-Titanabicyclo[3.1.0]hex-3-ene, 3,4-dimethyl-1,5-diphenyl-bis(.eta.-5-cyclopentadienyl)-
Comments Less than 3 mono-isotopic peaks
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Formula C29H28Ti
InChI InChI=1S/C19H18.2C5H5.Ti/c1-3-15(2)19(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16;2*1-2-4-5-3-1;/h4-13H,14H2,1-2H3;2*1-5H;
InChIKey DBLUDZOSXXHXEJ-UHFFFAOYSA-N
Molecular Weight 424.410 g/mol
SMILES C12([Ti]3456789%10(C(=C(C2(c2ccccc2)C1)C)C)([C@]1([C@@]4([C@@]5([C@@]6([C@@]71[H])[H])[H])[H])[H])[C@]1([C@@]9([C@@]8([C@@]3([C@@]%101[H])[H])[H])[H])[H])c1ccccc1
SPLASH splash10-004i-0900000000-338bc08f6b76c88c2e77
Source of Spectrum K-126-1548-11
Wiley ID 1379485