105-39-5

氯乙酸乙酯(105-39-5)红外图谱(IR2)

产品名称:氯乙酸乙酯

CAS:105-39-5

分子式:C4H7ClO2

分子量: 122.55

InChI:InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3

InChIKey: VEUUMBGHMNQHGO-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCl

Mass

MS-NW-2176          
ethyl chloroacetate
C4H7ClO2            (Mass of molecular ion:    122)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       2.2
      15.0       2.4
      26.0       2.1
      27.0      18.5
      28.0      20.6
      29.0     100.0
      30.0       2.2
      31.0       1.8
      42.0       8.1
      43.0       3.2
      45.0       4.4
      48.0       1.0
      49.0      12.7
      51.0       4.2
      73.0       1.5
      77.0      26.9
      79.0       8.8
      94.0       3.2
      95.0       1.6
      96.0       1.1
     107.0       1.7

parameter neat

parameter in CDCl3

¹H NMR	300 MHz
C₄ H₇ Cl O₂	neat
ethyl chloroacetate

    Parameter     ppm  Hz

      D(A)         1.266
      D(B)         4.194
       J(A,B)          7.09
     
      D(C)         4.067
     
     RATTET,L.S. & GOLDSTEIN,J.H. J.PHYS.CHEM. 73, 4400 (1969)

     Hz     ppm     Int.

   1268.88   4.230    122
   1261.79   4.206    368
   1254.72   4.182    375
   1247.62   4.159    128
   1220.10   4.067   1000
    386.86   1.290    379
    379.79   1.266    748
    372.69   1.242    365

¹H NMR	300 MHz
C₄ H₇ Cl O₂	10.8 mol% in CDCl₃
ethyl chloroacetate

    Parameter     ppm  Hz

      D(A)         1.310
      D(B)         4.252
       J(A,B)          7.15
     
      D(C)         4.062

     Hz     ppm     Int.

   1286.39   4.288    122
   1279.24   4.264    369
   1272.09   4.240    375
   1264.94   4.216    128
   1218.60   4.062   1000
    400.12   1.334    379
    393.00   1.310    748
    385.85   1.286    367

in CDCl3