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103-38-8

3-甲基丁酸苯甲酯(103-38-8)红外图谱(IR1)

分子式:C12H16O2

分子量: 192.25

InChI:InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChIKey: HVJKZICIMIWFCP-UHFFFAOYSA-N

Smiles:C(OCC1=CC=CC=C1)(=O)CC(C)C

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    Mass

    MS-NW-5837          
    benzyl isovalerate
    C12H16O2            (Mass of molecular ion:    192)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.5
          27.0       4.2
          28.0       1.1
          29.0       7.0
          39.0       8.1
          40.0       1.0
          41.0      11.7
          42.0       1.5
          43.0       5.7
          44.0       1.2
          50.0       1.7
          51.0       4.5
          52.0       1.5
          55.0       1.4
          57.0      35.6
          58.0       1.4
          59.0       4.0
          60.0       1.0
          63.0       2.2
          65.0       9.9
          69.0       2.1
          77.0       6.5
          78.0       1.7
          79.0       6.9
          85.0      26.6
          86.0       1.9
          89.0       3.7
          90.0      12.2
          91.0     100.0
          92.0      14.6
         105.0       3.0
         106.0       1.0
         107.0       7.8
         108.0      79.0
         109.0       6.8
         132.0       1.1
         192.0      19.4
         193.0       2.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C12 H16 O2 0.04 ml : 0.5 ml CDCl3
    benzyl isovalerate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.42 to 7.25 B 5.110 C 2.23 D 2.1 E 0.95

         Hz     ppm     Int.
    

        658.31   7.351    138
        657.13   7.338   1000
        654.56   7.309     66
        653.56   7.298     32
        457.69   5.111    479
        205.38   2.294     22
        202.88   2.266     46
        202.50   2.262     46
        201.19   2.247     65
        199.06   2.223    146
        197.63   2.207    168
        194.81   2.176     41
        189.06   2.111     26
         88.19   0.985    506
         87.13   0.973    191
         85.63   0.957    126
         84.13   0.940    107
         81.63   0.912    424
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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