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57597-62-3

氰基乙醛縮二甲醇(57597-62-3)質(zhì)譜(MS)

產(chǎn)品名稱:氰基乙醛縮二甲醇

CAS:57597-62-3

分子式:C5H9NO2

分子量: 115.13

InChI:InChI=1S/C5H9NO2/c1-7-5(8-2)3-4-6/h5H,3H2,1-2H3

InChIKey: JYHSJQNYYLGMEI-UHFFFAOYSA-N

Smiles:C(#N)CC(OC)OC

  • 圖譜
    Mass 

    MS-IW-2213          
3,3-dimethoxypropionitrile
C5H9NO2             (Mass of molecular ion:    115)


       Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV


          15.0      17.7
      26.0       1.6
      27.0       3.1
      28.0      12.5
      29.0      12.3
      30.0       2.0
      31.0      15.4
      39.0       2.0
      40.0       7.3
      41.0       8.7
      42.0       2.4
      43.0       2.3
      45.0       2.9
      47.0      18.2
      51.0       1.1
      52.0       3.1
      53.0       2.1
      54.0       8.5
      55.0       6.5
      56.0      46.9
      57.0       2.0
      58.0       2.3
      59.0       1.0
      68.0       2.9
      72.0       1.4
      75.0      94.4
      76.0       3.2
      82.0       5.7
      83.0       6.6
      84.0     100.0
      85.0       5.2
     114.0       1.5

parameter in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C5 H9 N O2 0.05 ml : 0.5 ml CDCl3
    3,3-dimethoxypropionitrile
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         4.670
      D(C)         2.686
       J(A,C)          5.2
     
      D(B)         3.414
  

         Hz     ppm     Int.


       1406.22   4.687     41
   1401.03   4.670     83
   1395.83   4.653     43
   1024.21   3.414   1000
    808.40   2.695    169
    803.20   2.677    166

in CDCl3

  • 圖譜

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