1270-98-0

三氯一茂钛(1270-98-0)红外图谱(IR2)

产品名称:三氯一茂钛

CAS:1270-98-0

分子式:C5H5Cl3Ti5*

分子量: 219.32

InChI:InChI=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|

Mass

MS-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

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

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