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556-24-1

異戊酸甲酯(556-24-1)紅外圖譜(IR2)

產(chǎn)品名稱:異戊酸甲酯

CAS:556-24-1

分子式:C6H12O2

分子量: 116.16

InChI:InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3

InChIKey: OQAGVSWESNCJJT-UHFFFAOYSA-N

Smiles:C(OC)(=O)CC(C)C

  • 圖譜
    Mass 

    MS-NW-0796          
methyl isovalerate
C6H12O2             (Mass of molecular ion:    116)


       Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          15.0       6.1
      27.0       7.7
      28.0       1.8
      29.0      11.7
      31.0       2.1
      38.0       1.1
      39.0      11.4
      40.0       1.8
      41.0      24.7
      42.0       4.8
      43.0      30.0
      44.0       1.9
      45.0       1.0
      55.0       3.4
      56.0       4.7
      57.0      26.5
      58.0       1.2
      59.0      25.1
      69.0       5.6
      73.0       2.9
      74.0     100.0
      75.0       3.8
      85.0      30.0
      86.0       1.7
     101.0      14.5
     116.0       1.5

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C6 H12 O2 0.04 ml : 0.5 ml CDCl3
    methyl isovalerate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.663
      B             2.20
      C             2.10
      D             0.957
  

         Hz     ppm     Int.


        329.75   3.682     25
    328.06   3.664   1000
    198.81   2.220     47
    197.94   2.211     50
    195.81   2.187    146
    194.00   2.167    145
    188.56   2.106     23
    186.81   2.086     28
     88.81   0.992    447
     87.44   0.977    163
     85.69   0.957    134
     83.69   0.935    135
     82.25   0.919    368

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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