5593-70-4

Tetrabutyl titanate(5593-70-4) MS

Product NameTetrabutyl titanate

CAS 5593-70-4

Molecular FormulaC16H36O4Ti

Molecular Weight340.32

InChIInChI=1S/4C4H9O.Ti/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4

InChIKey YHWCPXVTRSHPNY-UHFFFAOYSA-N

Smiles[Ti](OCCCC)(OCCCC)(OCCCC)OCCCC

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Tetrabutyl titanate(5593-70-4) MS
Mass

MS-NW-0415          
titanium tetrabutoxide
C16H36O4Ti          (Mass of molecular ion:    340)

   Source Temperature: 210 °C
   Sample Temperature: 280 °C
   Direct, 75 eV

      15.0       1.8
      17.0       1.2
      18.0       6.4
      26.0       5.8
      27.0      34.7
      28.0      21.3
      29.0      31.3
      30.0       1.1
      31.0      31.3
      32.0       1.4
      33.0       3.1
      37.0       2.0
      38.0       3.2
      39.0      26.8
      40.0       5.7
      41.0     100.0
      42.0      23.8
      43.0      73.9
      44.0      10.0
      45.0       3.7
      50.0       3.3
      51.0       3.3
      52.0       1.3
      53.0       6.5
      54.0       6.4
      55.0      38.7
      56.0      95.6
      57.0      39.0
      58.0       5.0
      60.0       3.7
      61.0       2.6
      66.0       1.0
      67.0      10.4
      68.0       6.5
      69.0      17.9
      70.0       6.5
      71.0       9.2
      72.0       6.6
      73.0       4.4
      74.0       1.1
      77.0       1.4
      79.0       3.4
      80.0       2.6
      81.0      10.1
      82.0       7.3
      83.0      12.4
      84.0       7.0
      85.0       5.8
      87.0       2.4
      91.0       2.2
      93.0       3.1
      94.0       1.9
      95.0       7.3
      96.0       6.0
      97.0       9.2
      98.0      12.4
      99.0       2.3
     101.0       2.1
     105.0       2.0
     107.0       1.9
     108.0       1.4
     109.0       4.2
     110.0       3.0
     111.0       5.6
     112.0       3.5
     113.0       1.2
     115.0       1.3
     116.0       3.1
     117.0       2.0
     119.0       1.2
     121.0       2.0
     122.0       1.0
     123.0       2.8
     124.0       2.0
     125.0       2.5
     126.0       1.2
     127.0       1.0
     129.0       4.1
     133.0       1.0
     135.0       2.0
     136.0       1.1
     137.0       2.3
     138.0       1.9
     139.0       1.5
     143.0       1.2
     145.0       1.0
     147.0       1.2
     149.0       1.2
     151.0       1.3
     152.0       1.9
     153.0       1.3
     157.0       1.1
     165.0       1.8
     166.0       1.1
     167.0       1.1
     180.0       1.0
     185.0       1.7
     193.0       1.1
     194.0       2.0
     208.0       1.1
     211.0       1.1
     222.0       1.1
     224.0       1.6
     225.0       2.9
     229.0       1.6
     236.0       3.0
     237.0       1.5
     239.0       1.6
     241.0       1.0
     243.0       1.5
     255.0       1.5
     256.0       1.1
     257.0       2.9
     264.0       1.3
     265.0       2.4
     266.0       2.2
     267.0      14.7
     268.0       3.7
     269.0       1.7
     295.0       2.5
     296.0       2.8
     297.0      22.1
     298.0       5.0
     299.0       2.4
     368.0       1.5

90 MHz in CDCl3

Tetrabutyl titanate(5593-70-4) MS

¹H NMR	89.56 MHz
C₁₆ H₃₆ O₄ Ti	0.04 ml : 0.5 ml CDCl₃
titanium tetrabutoxide

    Assign.     Shift(ppm)

      A             4.16
      B             1.58
      C             1.37
      D             0.93

     Hz     ppm     Int.

    372.75   4.163    298
    366.94   4.098    193
    157.56   1.760     47
    151.13   1.688    145
    149.25   1.667    140
    144.56   1.615    286
    138.31   1.545    359
    132.44   1.479    359
    126.63   1.414    312
    124.50   1.391    370
    121.13   1.353    227
    118.13   1.320    233
    111.69   1.248    187
    105.19   1.175     83
     89.13   0.996    631
     82.69   0.924   1000
     76.38   0.853    253
     75.50   0.844    252

in CDCl3