CYCLOPENTADIENYLTITANIUM TRICHLORIDE(1270-98-0) IR1
Product NameCYCLOPENTADIENYLTITANIUM TRICHLORIDE
CAS1270-98-0
Molecular FormulaC5H5Cl3Ti5*
Molecular Weight219.32
InChIInChI=1S/C5H5.3ClH.Ti/c1-2-4-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3
InChIKey AENCLWKVWIIOQH-UHFFFAOYSA-K
Smiles[Ti](Cl)(Cl)Cl.[CH]1[CH][CH][CH][CH]1 |^1:4,5,6,7,8|
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MassMS-NW-9914 trichloro(eta-cyclopentadienyl)titanium(IV) C5H5Cl3Ti (Mass of molecular ion: 218)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
36.0 1.4 38.0 1.5 39.0 10.0 48.0 1.0 63.0 2.7 65.0 100.0 66.0 5.8 83.0 7.0 84.0 1.0 85.0 3.9 86.0 1.2 118.0 7.3 119.0 1.1 120.0 5.5 121.0 2.1 122.0 3.3 146.0 1.1 147.0 1.9 148.0 7.0 149.0 1.5 150.0 2.7 181.0 2.2 182.0 4.9 183.0 18.3 184.0 5.4 185.0 12.3 186.0 2.1 187.0 2.6 216.0 2.7 217.0 2.7 218.0 27.0 219.0 5.8 220.0 26.4 221.0 4.0 222.0 9.5 223.0 1.2 224.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H5 Cl3 Ti 0.031 g : 0.5 ml CDCl3 trichloro(eta-cyclopentadienyl)titanium(IV) 
Assign. Shift(ppm)
A 7.047 B 6.907
Hz ppm Int.2820.80 7.059 32 2816.41 7.048 1000 2811.65 7.036 27 2760.50 6.908 481
in CDCl3
KBr disc
nujol mull
