图谱信息 供应商 相关产品
网站主页CAS数据库列表 515-84-4更多图谱三氯乙酸乙酯(515-84-4)质谱(MS)

三氯乙酸乙酯

产品名称 三氯乙酸乙酯

CAS号515-84-4

分子式C4H5Cl3O2

分子量191.44

展开


  • Mass

    MS-IW-6144          
    ethyl trichloroacetate
    C4H5Cl3O2           (Mass of molecular ion:    190)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.4
          26.0       1.8
          27.0      21.8
          28.0       4.6
          29.0     100.0
          30.0       5.1
          36.0       1.8
          43.0       2.8
          44.0       2.9
          45.0       2.9
          47.0       5.7
          49.0       2.3
          63.0       3.6
          65.0       1.2
          73.0       1.6
          82.0       9.1
          83.0       8.7
          84.0       5.8
          85.0       5.6
          86.0       1.0
          99.0       1.3
         110.0       3.7
         111.0       6.3
         112.0       2.5
         113.0       4.1
         117.0      31.1
         119.0      30.0
         121.0       9.7
         123.0       1.0
         127.0       1.1
         145.0       1.6
         147.0       2.3
         149.0       1.3
         155.0       6.7
         157.0       4.3
    

parameter neat

400 MHz in CDCl3


  • 1H NMR 300 MHz
    C4 H5 Cl3 O2 neat
    ethyl trichloroacetate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.399 D(B) 4.415 J(A,B) 7.11 RATTET,L.S. & GOLDSTEIN,J.H. J.PHYS.CHEM. 73, 4400 (1969)

         Hz     ppm     Int.
    

       1335.22   4.451    163
       1328.12   4.427    494
       1320.99   4.403    502
       1313.89   4.380    171
        426.77   1.423    507
        419.70   1.399   1000
        412.60   1.375    491
    


  • 1H NMR 399.65 MHz
    C4 H5 Cl3 O2 0.05 ml : 0.5 ml CDCl3
    ethyl trichloroacetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.439 B 1.419

         Hz     ppm     Int.
    

       1785.03   4.467    216
       1777.95   4.449    573
       1770.75   4.431    590
       1763.67   4.414    228
        574.46   1.438    598
        571.90   1.432     21
        567.26   1.420   1000
        560.18   1.402    597
    

in CDCl3



liquid film



4880 A,200 M,liquid