二乙二醇雙氯乙酯(638-56-2)紅外圖譜(IR1)

產(chǎn)品名稱:二乙二醇雙氯乙酯

CAS:638-56-2

分子式:C8H16Cl2O3

分子量: 231.12

InChI:InChI=1S/C8H16Cl2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2

InChIKey: ZCFRYTWBXNQVOW-UHFFFAOYSA-N

Smiles:O(CCOCCCl)CCOCCCl

Mass

MS-NW-6661          
diethylene glycol bis(2-chloroethyl) ether
C8H16Cl2O3          (Mass of molecular ion:    230)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       3.2
      19.0       1.1
      26.0       1.6
      27.0      29.9
      28.0       8.2
      29.0       5.1
      31.0       6.3
      36.0       1.0
      43.0      16.9
      44.0       4.9
      45.0      56.6
      46.0       1.4
      49.0       1.8
      51.0       3.3
      57.0       1.5
      58.0       1.4
      59.0      16.4
      62.0       2.8
      63.0     100.0
      64.0       3.3
      65.0      30.7
      70.0       1.5
      71.0       1.2
      72.0       3.1
      73.0       8.0
      87.0       3.4
      93.0       6.2
      95.0       2.2
     101.0       2.9
     103.0       1.0
     105.0       1.1
     106.0      17.7
     107.0      51.1
     108.0       8.0
     109.0      16.3
     115.0       1.5
     137.0      16.5
     138.0       1.1
     139.0       5.8
     151.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆ Cl₂ O₃	0.05 ml : 0.5 ml CDCl₃
diethylene glycol bis(2-chloroethyl) ether

    Assign.     Shift(ppm)

      A             3.78
      B             3.68
      C             3.62

     Hz     ppm     Int.

    345.25   3.855     27
    342.06   3.820     50
    340.38   3.801     23
    340.06   3.798     23
    337.00   3.763    149
    333.31   3.722    186
    332.69   3.715    198
    329.50   3.680   1000
    325.69   3.637    170
    320.63   3.581     60
    317.44   3.545     34

in CDCl3