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105-56-6

氰乙酸乙酯(105-56-6)質(zhì)譜(MS)

產(chǎn)品名稱:氰乙酸乙酯

CAS:105-56-6

分子式:C5H7NO2

分子量: 113.11

InChI:InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3

InChIKey: ZIUSEGSNTOUIPT-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CC#N

  • 圖譜
    Mass 

    MS-NW-1495          
ethyl cyanoacetate
C5H7NO2             (Mass of molecular ion:    113)


       Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV


          14.0       1.5
      15.0       3.6
      26.0       4.0
      27.0      22.5
      28.0      10.0
      29.0     100.0
      30.0       2.2
      31.0       3.0
      38.0       1.8
      39.0       3.6
      40.0      17.5
      41.0      13.0
      42.0       4.8
      43.0       6.3
      44.0       1.6
      45.0       9.9
      54.0       1.3
      60.0       1.0
      67.0       1.7
      68.0      71.0
      69.0       2.8
      86.0      10.6
     113.0       1.8

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C5 H7 N O2 0.04 ml : 0.5 ml CDCl3
    ethyl cyanoacetate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.270
      B             3.477
      C             1.326
  

         Hz     ppm     Int.


        393.38   4.393     94
    386.19   4.313    297
    379.06   4.233    313
    372.00   4.154    109
    311.44   3.478   1000
    125.69   1.404    385
    118.56   1.324    801
    116.25   1.299     26
    111.38   1.244    341

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

UV PHOTOLYSIS IN T-BUTYL ALCOHOL, H2O2, 35C

  • 圖譜

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