627-11-2

氯甲酸氯乙酯(627-11-2)质谱(MS)

产品名称:氯甲酸氯乙酯

CAS:627-11-2

分子式:C3H4Cl2O2

分子量: 142.97

InChI:InChI=1S/C3H4Cl2O2/c4-1-2-7-3(5)6/h1-2H2

InChIKey: SVDDJQGVOFZBNX-UHFFFAOYSA-N

Smiles:C(Cl)(OCCCl)=O

Mass

MS-NW-7376          
2-chloroethyl chloroformate
C3H4Cl2O2           (Mass of molecular ion:    142)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       4.6
      27.0      39.1
      28.0       2.6
      29.0       5.1
      30.0       3.1
      31.0       2.7
      35.0       3.4
      36.0       1.6
      37.0       1.2
      42.0       1.2
      43.0       1.6
      44.0       4.7
      45.0       1.0
      47.0       1.1
      48.0       1.3
      49.0       8.5
      50.0       1.9
      51.0       3.2
      61.0       2.3
      62.0      93.9
      63.0     100.0
      64.0      31.8
      65.0      33.0
      77.0       4.0
      79.0       1.7
      81.0       1.1
      93.0      53.7
      94.0       1.4
      95.0      17.5
     107.0       1.6

parameter in CDCl3

parameter neat

¹H NMR	300 MHz
C₃ H₄ Cl₂ O₂	0.05 ml : 0.5 ml CDCl₃
2-chloroethyl chloroformate

    Parameter     ppm  Hz

      D(A)         4.552
      D(B)         3.760
       J(A,B)          5.62

     Hz     ppm     Int.

   1371.29   4.571    477
   1365.67   4.552   1000
   1360.06   4.534    526
   1133.55   3.778    526
   1127.94   3.760    998
   1122.32   3.741    479

¹H NMR	300 MHz
C₃ H₄ Cl₂ O₂	neat
2-chloroethyl chloroformate

    Parameter     ppm  Hz

      D(A)         3.77
      D(B)         4.53
       J(A,A')       -11.80
       J(A,B)          6.62
       J(A,B')         4.04
       J(A',B)         4.04
       J(A',B')        6.62
       J(B,B')       -12.38
     
     HIRST,R.C. & GRANT,D.M. J.CHEM.PHYS. 40, 1909 (1964)
     J(A,A') AND J(B,B') ARE EXCHANGEABLE.

     Hz     ppm     Int.

   1364.40   4.548    886
   1359.99   4.533    500
   1359.13   4.530    997
   1357.98   4.527    459
   1353.75   4.512    975
   1136.26   3.788    975
   1132.03   3.773    459
   1130.88   3.770   1000
   1130.00   3.767    499
   1125.61   3.752    886

in CDCl3