磷酸三(2-氯乙基)酯(115-96-8)紅外圖譜(IR2)

產(chǎn)品名稱:磷酸三(2-氯乙基)酯

CAS:115-96-8

分子式:C6H12Cl3O4P

分子量: 285.49

InChI:InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2

InChIKey: HQUQLFOMPYWACS-UHFFFAOYSA-N

Smiles:P(=O)(OCCCl)(OCCCl)OCCCl

Mass

MS-NW-1768          
tris(2-chloroethyl) phosphate
C6H12Cl3O4P         (Mass of molecular ion:    284)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       5.1
      18.0       2.1
      26.0       6.7
      27.0      84.9
      28.0      10.9
      29.0       5.5
      30.0       1.0
      31.0       6.1
      36.0       1.4
      42.0       2.5
      43.0       6.1
      44.0       3.2
      45.0      10.5
      47.0       6.3
      48.0       1.1
      49.0      12.0
      50.0       1.2
      51.0       3.9
      57.0       1.1
      61.0       2.3
      62.0      18.9
      63.0     100.0
      64.0       8.5
      65.0      32.7
      77.0       2.7
      79.0       1.1
      81.0      12.7
      93.0       4.9
      99.0      24.0
     107.0       1.8
     117.0      13.6
     119.0       4.5
     125.0      14.5
     126.0       1.1
     135.0       1.0
     143.0      25.1
     145.0       8.3
     151.0       1.7
     161.0       7.2
     163.0       2.5
     187.0       7.6
     189.0       2.4
     205.0      18.5
     207.0      12.0
     209.0       2.0
     223.0      12.5
     225.0       8.0
     227.0       1.3
     235.0       5.0
     237.0       3.2
     249.0      36.3
     250.0       2.5
     251.0      23.3
     252.0       1.6
     253.0       4.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ Cl₃ O₄ P	0.02 ml : 0.5 ml CDCl₃
tris(2-chloroethyl) phosphate

    Assign.     Shift(ppm)

      A             4.33
      B             3.74
     
     J(P-31,A)=8.1HZ

     Hz     ppm     Int.

    398.50   4.450    298
    397.94   4.444    303
    392.88   4.387    729
    391.81   4.375    350
    391.25   4.369    214
    390.56   4.361    319
    389.94   4.354    309
    387.19   4.324    475
    386.81   4.320    459
    384.81   4.297    685
    383.75   4.285    348
    383.13   4.278    194
    379.25   4.235    460
    378.75   4.230    450
    340.69   3.805    452
    340.25   3.800    523
    339.69   3.793    546
    339.19   3.788    519
    336.19   3.754    180
    335.63   3.748    342
    334.63   3.737   1000
    333.63   3.726    800
    329.50   3.680    318
    328.88   3.673    374
    328.56   3.669    372
    327.88   3.662    307

in CDCl3