2568-30-1

氯乙醛缩乙二醇(2568-30-1)Raman光谱

产品名称:氯乙醛缩乙二醇

CAS:2568-30-1

分子式:C4H7ClO2

分子量: 122.55

InChI:InChI=1S/C4H7ClO2/c5-3-4-6-1-2-7-4/h4H,1-3H2

InChIKey: IKZOMJGRWIOEDP-UHFFFAOYSA-N

Smiles:O1CCOC1CCl

Mass

MS-IW-4900          
2-chloromethyl-1,3-dioxolane
C4H7ClO2            (Mass of molecular ion:    122)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       4.7
      19.0       2.8
      26.0       1.7
      27.0       9.8
      28.0       3.6
      29.0      10.7
      31.0       6.3
      36.0       1.1
      42.0       3.8
      43.0      15.6
      44.0       2.1
      45.0      33.5
      49.0       7.5
      50.0       1.6
      51.0       2.4
      57.0       9.0
      61.0       1.0
      62.0       1.9
      63.0       1.5
      73.0     100.0
      74.0       4.2
      77.0       5.1
      79.0       2.1
      92.0       4.1
      94.0       1.3
     121.0       3.3
     123.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₇ Cl O₂	0.05 ml : 0.5 ml CDCl₃
2-chloromethyl-1,3-dioxolane

    Assign.     Shift(ppm)

      A             5.161
      B     *1      4.049
      C     *1      3.958
      D             3.550

     Hz     ppm     Int.

   2066.89   5.172    290
   2062.87   5.162    538
   2058.84   5.152    282
   1634.28   4.090     32
   1627.32   4.072    193
   1621.95   4.059    292
   1620.85   4.056    409
   1620.00   4.054    493
   1618.16   4.049    342
   1616.09   4.044    303
   1613.28   4.037    352
   1603.76   4.013    151
   1596.68   3.996    135
   1587.28   3.972    356
   1584.47   3.965    293
   1582.40   3.960    332
   1580.57   3.955    492
   1579.71   3.953    349
   1578.61   3.950    244
   1573.36   3.937    190
   1566.28   3.920     39
   1420.90   3.556   1000
   1416.87   3.546    964

in CDCl3