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Back ChemicalBook Home>CAS DataBase List>115-96-8More Spectrum> Tris(2-chloroethyl) phosphate(115-96-8) MS

Tris(2-chloroethyl) phosphate(115-96-8) MS

Molecular FormulaC6H12Cl3O4P

Molecular Weight285.49

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

InChIKey HQUQLFOMPYWACS-UHFFFAOYSA-N

SmilesP(=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
    ChemicalStructure
        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



CCl4 solution



liquid film





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