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2050-01-3

异丁酸异戊酯(2050-01-3)红外图谱(IR2)

产品名称:异丁酸异戊酯

CAS:2050-01-3

分子式:C9H18O2

分子量: 158.24

InChI:InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3

InChIKey: VFTGLSWXJMRZNB-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5747          
    isopentyl isobutyrate
    C9H18O2             (Mass of molecular ion:    158)
    

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

          15.0       1.4
          27.0      11.9
          28.0       3.1
          29.0       8.0
          31.0       1.3
          39.0       6.5
          40.0       1.7
          41.0      19.3
          42.0      11.7
          43.0     100.0
          44.0       3.9
          45.0       1.8
          55.0      23.9
          56.0       2.5
          57.0       3.6
          58.0       1.0
          59.0       3.7
          69.0       4.1
          70.0      59.1
          71.0      64.1
          72.0       3.2
          73.0       1.6
          85.0       2.2
          88.0       1.7
          89.0      11.3
         101.0       2.7
         115.0       2.9
    

in CDCl3

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H18 O2 0.04 ml : 0.5 ml CDCl3
    isopentyl isobutyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.097 B 2.52 C 1.71 D 1.53 E 1.16 F 0.93

         Hz     ppm     Int.
    

        373.63   4.172    132
        366.81   4.096    225
        360.38   4.024    129
        233.56   2.608     48
        228.38   2.551     33
        226.50   2.530     64
        221.56   2.474     32
        219.63   2.453     59
        212.81   2.377     32
        147.13   1.643     37
        145.31   1.623     73
        143.81   1.606     65
        141.31   1.578     44
        140.69   1.571     40
        138.69   1.549    137
        135.44   1.513     31
        133.25   1.488     98
        132.19   1.476    186
        126.25   1.410     34
        124.94   1.396     35
        112.06   1.252     65
        108.19   1.209    470
        107.31   1.199   1000
        102.81   1.148     47
        100.38   1.121    840
         85.75   0.958    836
         79.75   0.891    622
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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