95-59-0

2,3-DICHLORO-1,4-DIOXANE(95-59-0)质谱(MS)

产品名称:2,3-DICHLORO-1,4-DIOXANE

CAS:95-59-0

分子式:C4H6Cl2O2

分子量: 157

InChI:InChI=1S/C4H6Cl2O2/c5-3-4(6)8-2-1-7-3/h3-4H,1-2H2

InChIKey: ZOZUXFQYIYUIND-UHFFFAOYSA-N

Smiles:O1CCOC(Cl)C1Cl

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-2721          
2,3-dichloro-1,4-dioxane
C4H6Cl2O2           (Mass of molecular ion:    156)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.7
      15.0       3.7
      26.0       7.8
      27.0      16.4
      28.0     100.0
      29.0      24.3
      30.0      11.6
      31.0      16.0
      35.0       1.1
      36.0       3.7
      38.0       1.1
      42.0       2.2
      43.0       7.2
      45.0       3.5
      48.0       1.4
      49.0      30.3
      51.0       9.6
      57.0       6.7
      58.0       6.9
      61.0       4.6
      62.0       3.0
      63.0      32.1
      64.0      20.5
      65.0      11.4
      66.0       6.3
      71.0       1.0
      77.0       5.1
      79.0       1.6
      86.0       8.5
      91.0       2.1
      92.0       6.0
      93.0       1.9
      94.0       1.8
      96.0       3.3
      98.0       2.2
     120.0       7.7
     121.0      51.7
     122.0       5.0
     123.0      16.9
     156.0       5.0
     158.0       3.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₆ Cl₂ O₂	0.05 ml : 0.5 ml CDCl₃
2,3-dichloro-1,4-dioxane

    Assign.     Shift(ppm)

      A             5.96
      B             4.39
      C             3.74

     Hz     ppm     Int.

    534.38   5.967    911
    534.00   5.963   1000
    533.19   5.954    596
    411.13   4.591     43
    410.50   4.584     39
    399.50   4.461    374
    398.19   4.447    174
    391.00   4.366    477
    390.19   4.357    312
    380.25   4.246     45
    379.38   4.237    152
    378.00   4.221     44
    351.06   3.920     39
    350.13   3.910     47
    349.50   3.903     63
    349.06   3.898     69
    339.00   3.786    273
    338.38   3.779    426
    337.81   3.772    389
    330.31   3.689    297
    329.69   3.682    264
    329.06   3.675    243
    318.63   3.558     37

in CDCl3