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109-74-0

丁腈(109-74-0)Raman光譜

產(chǎn)品名稱:丁腈

CAS:109-74-0

分子式:C4H7N

分子量: 69.11

InChI:InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3

InChIKey: KVNRLNFWIYMESJ-UHFFFAOYSA-N

Smiles:C(#N)CCC

  • 圖譜
    Mass 

    MS-NW-0927          
butyronitrile
C4H7N               (Mass of molecular ion:     69)


       Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          15.0       2.1
      26.0       5.3
      27.0      28.6
      28.0       5.9
      29.0      66.3
      30.0       1.5
      37.0       2.8
      38.0       3.2
      39.0       8.6
      40.0       3.8
      41.0     100.0
      42.0       4.0
      51.0       1.4
      52.0       2.7
      54.0       1.2
      64.0       1.2

400 MHz in CDCl3

parameter in benzene

  • 圖譜

    1H NMR 399.65 MHz
    C4 H7 N 0.05 ml : 0.5 ml CDCl3
    butyronitrile
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             2.339
      B             1.699
      C             1.081
  

         Hz     ppm     Int.


        946.41   2.369     23
    942.02   2.358    447
    939.45   2.351     50
    934.94   2.340    762
    930.05   2.328     47
    927.86   2.322    461
    697.39   1.746     67
    690.19   1.727    235
    682.98   1.709    425
    675.66   1.691    417
    668.46   1.673    249
    661.13   1.655     69
    439.21   1.099    644
    431.88   1.081   1000
    424.44   1.063    556

  • 圖譜

    1H NMR 300 MHz
    C4 H7 N 90 vol% in benzene
    butyronitrile
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         2.073
      D(B)         1.398
      D(C)         0.810
       J(A,B)          7.03
       J(A,C)         -0.05
       J(B,C)          7.39
     
     SCHRUMPF,G. J.MAGN.RESON. 6, 243 (1972)
  

         Hz     ppm     Int.


        629.05   2.097    330
    622.04   2.073    705
    615.01   2.050    383
    437.60   1.459     45
    430.21   1.434    170
    423.08   1.410    337
    415.82   1.386    338
    408.64   1.362    190
    401.44   1.338     49
    250.22   0.834    519
    242.85   0.809   1000
    235.48   0.785    429

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

UV PHOTOLYSIS IN H2O2 AND H2O, 34.5C

  • 圖譜

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