4437-85-8

4-乙基-1,3-二惡烷-2-酮(4437-85-8)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):4-乙基-1,3-二惡烷-2-酮

CAS:4437-85-8

分子式:C5H8O3

分子量: 116.12

InChI:InChI=1S/C5H8O3/c1-2-4-3-7-5(6)8-4/h4H,2-3H2,1H3

InChIKey: ZZXUZKXVROWEIF-UHFFFAOYSA-N

Smiles:O1CC(CC)OC1=O

¹HNMR

¹³CNMR

IR1

Mass

MS2009-03933CW      
4-ethyl-1,3-dioxolan-2-one
C5H8O3              (Mass of molecular ion:    116)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      15.0       9.7
      26.0       4.1
      27.0      23.5
      28.0       2.1
      29.0      14.3
      30.0       5.4
      31.0       2.7
      37.0       1.0
      38.0       2.3
      39.0      14.8
      40.0       4.1
      41.0      25.4
      42.0      47.8
      43.0     100.0
      44.0      14.0
      45.0       1.2
      50.0       1.1
      53.0       1.3
      54.0       1.5
      55.0       1.1
      57.0      12.9
      58.0       2.4
      71.0       3.2
      72.0       1.5
      86.0      14.0
      87.0      70.2
      88.0       2.5
     116.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₈ O₃	0.05 ml : 0.5 ml CDCl₃
4-ethyl-1,3-dioxolan-2-one

    Assign.     Shift(ppm)

      A     *1      4.706
      B     *1      4.565
      C             4.114
      D             1.79
      E             1.031

     Hz     ppm     Int.

   1895.02   4.742     54
   1889.40   4.728     67
   1888.06   4.725    114
   1887.21   4.723     83
   1882.45   4.711    120
   1881.35   4.708    123
   1880.13   4.705    140
   1874.51   4.691    143
   1873.29   4.688     80
   1867.55   4.673     70
   1832.52   4.586    322
   1824.58   4.566    295
   1824.10   4.565    355
   1816.16   4.545    268
   1651.61   4.133    269
   1644.65   4.116    260
   1643.07   4.112    248
   1636.11   4.094    221
    743.29   1.860     40
    736.45   1.843     84
    729.13   1.825    184
    722.05   1.807    234
    720.58   1.804    163
    714.84   1.789    267
    713.13   1.785    163
    707.40   1.771    185
    706.30   1.768     72
    705.81   1.767     75
    700.20   1.753     66
    698.85   1.749     44
    693.24   1.735     34
    419.56   1.050    615
    416.38   1.042     46
    412.11   1.032   1000
    404.54   1.013    542

in CDCl3