30745-55-2

异辛酸铝(30745-55-2)质谱(MS)

产品名称:异辛酸铝

CAS:30745-55-2

分子式:C16H31AlO5

分子量: 330.4

InChI:InChI=1S/2C8H16O2.Al.H2O/c2*1-3-5-6-7(4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;1H2/q;;+3;/p-3

InChIKey: ITXFWNWNWXSDBB-UHFFFAOYSA-K

Smiles:C(CC)(CCCC)C(=O)O[Al](O)OC(=O)C(CC)CCCC

IR1

IR2

Mass

MS-IW-9446          
bis(2-ethylhexanoato-o)hydroxyaluminum
C16H31AlO5          (Mass of molecular ion:    313)

   Source Temperature: 180 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      15.0       1.7
      17.0       4.9
      18.0      23.2
      26.0       4.7
      27.0      24.6
      28.0      33.0
      29.0      25.1
      31.0       1.9
      32.0       1.2
      37.0       1.0
      38.0       2.1
      39.0      20.3
      40.0       4.7
      41.0      54.6
      42.0      11.5
      43.0      27.9
      44.0       3.8
      45.0       9.6
      50.0       1.6
      51.0       3.0
      52.0       1.4
      53.0       6.9
      54.0       5.0
      55.0      51.8
      56.0      22.3
      57.0      44.8
      58.0       2.5
      59.0       2.9
      60.0       2.5
      63.0       1.0
      65.0       1.6
      66.0       1.0
      67.0       4.2
      68.0       3.0
      69.0      18.0
      70.0       8.5
      71.0       3.2
      73.0      94.9
      74.0       5.5
      77.0       1.4
      79.0       1.4
      81.0       2.3
      82.0       1.5
      83.0      14.6
      84.0       2.0
      85.0       1.7
      87.0      22.4
      88.0     100.0
      89.0       4.4
      91.0       1.0
      95.0       1.1
      96.0       1.3
      97.0       3.2
      98.0       7.6
      99.0       1.9
     101.0      17.8
     102.0       1.5
     111.0       1.1
     115.0      10.5
     116.0      14.5
     117.0       1.2
     126.0       4.9
     127.0       1.1
     129.0       1.0
     313.0       1.2

KBr disc