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78-82-0

異丁腈(78-82-0)ESR圖譜

產(chǎn)品名稱:異丁腈

CAS:78-82-0

分子式:C4H7N

分子量: 69.11

InChI:InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3

InChIKey: LRDFRRGEGBBSRN-UHFFFAOYSA-N

Smiles:C(#N)C(C)C

  • 圖譜
    Mass 

    MS-NW-0916          
isobutyronitrile
C4H7N               (Mass of molecular ion:     69)


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


          15.0       2.9
      26.0       8.0
      27.0      14.0
      28.0      22.6
      29.0       1.2
      37.0       3.9
      38.0       4.5
      39.0      12.4
      40.0       5.5
      41.0      25.3
      42.0     100.0
      43.0       3.5
      51.0       5.5
      52.0      11.3
      53.0      11.2
      54.0      28.7
      55.0       1.1
      64.0       1.5
      66.0       1.2
      67.0       1.0
      68.0      60.2
      69.0       2.7

400 MHz in CDCl3

parameter in benzene

  • 圖譜

    1H NMR 399.65 MHz
    C4 H7 N 0.05 ml : 0.5 ml CDCl3
    isobutyronitrile
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             2.721
      B             1.331
  

         Hz     ppm     Int.


       1101.93   2.758     58
   1094.85   2.740    136
   1087.89   2.723    178
   1080.81   2.705    141
   1073.73   2.687     63
    535.40   1.340   1000
    532.59   1.333     78
    528.32   1.322    947

  • 圖譜

    1H NMR 300 MHz
    C4 H7 N 100 mol% in benzene
    isobutyronitrile
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         2.525
      D(B)         1.057
       J(A,B)          7.03
       J(A,B')         7.03
       J(B,B')         0.0
     
     SCHRUMPF,G. TETRAHEDRON LETT. 33, 3421 (1972)
  

         Hz     ppm     Int.


        771.70   2.572     28
    764.67   2.549     68
    757.64   2.525     93
    750.61   2.502     72
    743.58   2.479     31
    320.59   1.069   1000
    313.56   1.045    966

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

PHOTOLYSIS IN H2O2/H2O, 36C

  • 圖譜

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