619-33-0

2,2-二氯-1,1-二乙氧基乙烷(619-33-0)红外图谱(IR2)

产品名称:2,2-二氯-1,1-二乙氧基乙烷

CAS:619-33-0

分子式:C6H12Cl2O2

分子量: 187.06

InChI:InChI=1S/C6H12Cl2O2/c1-3-9-6(5(7)8)10-4-2/h5-6H,3-4H2,1-2H3

InChIKey: CDHLQZJRWKQATP-UHFFFAOYSA-N

Smiles:C(Cl)(Cl)C(OCC)OCC

Mass

MS-NW-1284          
dichloroacetaldehyde diethyl acetal
C6H12Cl2O2          (Mass of molecular ion:    186)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0       3.3
      19.0       4.8
      26.0       2.6
      27.0      20.4
      28.0       4.1
      29.0      64.8
      30.0       1.5
      31.0      11.4
      41.0       1.7
      42.0       2.3
      43.0       3.8
      45.0       9.9
      47.0     100.0
      48.0       2.0
      49.0       7.2
      51.0       2.3
      59.0       2.1
      61.0       1.2
      63.0       2.0
      65.0       1.2
      75.0      62.7
      76.0       2.2
      77.0       7.0
      78.0       6.6
      79.0       2.7
      80.0       2.2
      83.0       2.2
      85.0       1.4
     103.0      44.2
     104.0       2.5
     112.0       1.2
     113.0      32.3
     114.0       1.3
     115.0      21.0
     117.0       3.3
     141.0      17.4
     143.0      11.0
     145.0       1.7

90 MHz in CDCl3

parameter neat

¹H NMR	89.56 MHz
C₆ H₁₂ Cl₂ O₂	0.04 ml : 0.5 ml CDCl₃
dichloroacetaldehyde diethyl acetal

    Assign.     Shift(ppm)

      A             5.596
      B             4.616
      C     *1      3.78
      D     *1      3.71
      E             1.271

     Hz     ppm     Int.

    504.00   5.628    247
    498.69   5.569    275
    415.94   4.645    180
    410.63   4.585    161
    349.38   3.902     23
    347.31   3.878     71
    344.81   3.851     70
    342.25   3.822     30
    340.13   3.798    198
    337.81   3.772    204
    335.44   3.746     26
    333.00   3.719    212
    330.88   3.695    214
    328.56   3.669     34
    325.94   3.640     84
    324.00   3.618     84
    321.50   3.590     28
    120.63   1.347    502
    113.63   1.269   1000
    106.56   1.190    433

¹H NMR	300 MHz
C₆ H₁₂ Cl₂ O₂	neat
dichloroacetaldehyde diethyl acetal

    Parameter     ppm  Hz

      D(A)         1.212
      D(B)  *1     3.719
      D(C)  *1     3.657
       J(A,B)          7.06
       J(A,C)          7.06
       J(B,C)         -9.40
     
      D(D)         4.559
      D(E)         5.596
       J(D,E)          5.84
     
     RATTET,L.S. & GOLDSTEIN,J.H. ORG.MAGN.RESON. 1, 229 (1969)

     Hz     ppm     Int.

   1681.76   5.606    164
   1675.94   5.586    170
   1370.58   4.569    170
   1364.80   4.549    164
   1132.18   3.774     23
   1125.12   3.750     69
   1122.81   3.743     62
   1118.03   3.727     74
   1115.72   3.719    181
   1111.26   3.704     79
   1108.66   3.696    185
   1104.24   3.681    180
   1101.65   3.672     81
   1097.23   3.657    184
   1094.88   3.650     73
   1090.18   3.634     65
   1087.82   3.626     71
   1080.81   3.603     24
    370.65   1.235    505
    363.59   1.212   1000
    356.54   1.188    487

in CDCl3