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644-49-5

2-甲基丙酸丙酯(644-49-5)红外图谱(IR2)

产品名称:2-甲基丙酸丙酯

CAS:644-49-5

分子式:C7H14O2

分子量: 130.18

InChI:InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3

InChIKey: AZFUASHXSOTBNU-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0768          
    propyl isobutyrate
    C7H14O2             (Mass of molecular ion:    130)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       2.7
          26.0       1.1
          27.0      13.6
          28.0       2.4
          29.0       2.0
          31.0       2.7
          39.0       6.3
          40.0       1.4
          41.0      21.6
          42.0      13.3
          43.0     100.0
          44.0       3.3
          57.0       1.3
          59.0       4.0
          71.0      60.4
          72.0       2.7
          73.0       3.4
          88.0       2.1
          89.0      45.9
          90.0       2.1
         101.0       3.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H14 O2 0.04 ml : 0.5 ml CDCl3
    propyl isobutyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.025 B 2.529 C 1.646 D 1.169 E 0.950

         Hz     ppm     Int.
    

        367.38   4.103    166
        360.75   4.029    350
        354.19   3.955    188
        234.75   2.622     50
        227.88   2.545     60
        220.75   2.465     60
        214.00   2.390     35
        158.31   1.768     54
        151.94   1.697     77
        151.25   1.689     73
        150.69   1.683     53
        145.50   1.625     60
        144.31   1.612    105
        143.38   1.601     35
        137.69   1.538     73
        137.00   1.530     39
        108.00   1.206   1000
        105.69   1.181     40
        104.06   1.162     30
        103.56   1.157     36
        101.06   1.129    815
         98.69   1.102     37
         92.25   1.031     93
         91.56   1.023    186
         90.94   1.016    133
         84.69   0.946    386
         83.88   0.937    210
         77.75   0.869     60
         76.88   0.859    116
         75.88   0.848     67
    

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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