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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>97-85-8更多圖譜> 異丁酸異丁酯(97-85-8)紅外圖譜(IR2)

97-85-8

異丁酸異丁酯(97-85-8)紅外圖譜(IR2)

產(chǎn)品名稱:異丁酸異丁酯

CAS:97-85-8

分子式:C8H16O2

分子量: 144.21

InChI:InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3

InChIKey: RXGUIWHIADMCFC-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-0905          
isobutyl isobutyrate
C8H16O2             (Mass of molecular ion:    144)


       Source Temperature: 290 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          15.0       1.1
      26.0       1.0
      27.0      14.6
      28.0       3.6
      29.0      18.0
      31.0       1.6
      39.0       9.1
      40.0       1.8
      41.0      36.0
      42.0       6.2
      43.0      89.3
      44.0       3.0
      55.0       3.3
      56.0      45.2
      57.0      36.8
      58.0       1.6
      70.0       2.4
      71.0     100.0
      72.0       4.6
      73.0       3.8
      88.0       1.8
      89.0      19.8
     101.0       5.2

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H16 O2 0.04 ml : 0.5 ml CDCl3
    isobutyl isobutyrate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.852
      B             2.56
      C             1.92
      D             1.177
      E             0.938
  

         Hz     ppm     Int.


        348.50   3.892    405
    341.94   3.818    441
    243.06   2.714     23
    235.94   2.635     50
    229.88   2.567     28
    229.06   2.558     60
    222.75   2.488     29
    221.94   2.479     60
    215.19   2.403     33
    180.13   2.012     36
    173.25   1.935     46
    166.63   1.861     43
    160.06   1.788     28
    108.56   1.213   1000
    104.19   1.164     27
    101.69   1.136    809
     86.94   0.971    869
     80.31   0.897    649

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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