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78-84-2

異丁醛(78-84-2)紅外圖譜(IR1)

產(chǎn)品名稱:異丁醛

CAS:78-84-2

分子式:C4H8O

分子量: 72.11

InChI:InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3

InChIKey: AMIMRNSIRUDHCM-UHFFFAOYSA-N

Smiles:C(=O)C(C)C

  • 圖譜
    Mass 

    MS-IW-3442          
isobutyraldehyde
C4H8O               (Mass of molecular ion:     72)


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


          15.0       2.4
      26.0       5.6
      27.0      54.9
      28.0      13.1
      29.0      31.5
      31.0       1.5
      37.0       3.4
      38.0       5.7
      39.0      28.7
      40.0       3.9
      41.0      86.7
      42.0      14.0
      43.0     100.0
      44.0       7.4
      45.0       1.1
      50.0       1.0
      53.0       1.5
      55.0       3.3
      56.0       1.8
      57.0       6.9
      71.0       4.4
      72.0      92.3
      73.0       5.9
      83.0       2.5
      98.0       1.7

parameter neat

  • 圖譜

    1H NMR 300 MHz
    C4 H8 O neat
    isobutyraldehyde
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         2.39
      D(B)         1.06
      D(C)         9.57
       J(A,B)          7.0
       J(A,C)          1.1
       J(B,C)          0.0
     
     RANFT,J. ANN.PHYS. 10, 1 (1962)
  

         Hz     ppm     Int.


       2871.54   9.572    186
   2870.52   9.568    186
    731.75   2.439     16
    730.65   2.435     15
    724.66   2.416     39
    723.63   2.412     36
    717.65   2.392     54
    716.62   2.389     51
    710.71   2.369     42
    709.69   2.366     41
    703.70   2.346     18
    702.67   2.342     18
    321.54   1.072   1000
    314.52   1.048    953

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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