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141-32-2

丙烯酸正丁酯(141-32-2)质谱(MS)

产品名称:丙烯酸正丁酯

CAS:141-32-2

分子式:C7H12O2

分子量: 128.17

InChI:InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3

InChIKey: CQEYYJKEWSMYFG-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)C=C

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    Mass

    MS-NW-5515          
    butyl acrylate
    C7H12O2             (Mass of molecular ion:    128)
    

       Source Temperature: 240 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          26.0       3.1
          27.0      24.9
          28.0       4.6
          29.0      10.6
          31.0       2.3
          39.0       4.1
          41.0      17.8
          42.0       1.5
          43.0       3.0
          55.0     100.0
          56.0      51.4
          57.0       5.0
          68.0       1.5
          69.0       1.5
          70.0       1.5
          73.0      36.8
          74.0       1.4
          85.0       7.2
          99.0       1.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H12 O2 12.2 mol% in CDCl3
    butyl acrylate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 0.96 B 1.41 C 1.65 D 4.158 E 5.795 F 6.108 G 6.364 J(E,F):9.6 HZ J(F,G):16.8 HZ J(E,G):2.7 HZ

         Hz     ppm     Int.
    

        584.44   6.526    158
        581.69   6.495    195
        567.56   6.338    625
        564.81   6.307    660
        561.31   6.268     52
        559.19   6.244    533
        549.50   6.136    746
        546.75   6.105     61
        542.31   6.056     60
        532.63   5.948    330
        524.25   5.854    546
        521.50   5.823    519
        518.75   5.793     33
        518.31   5.788     32
        518.00   5.784     30
        517.38   5.777     31
        514.63   5.747    301
        511.81   5.715    252
        379.25   4.235    374
        372.88   4.164    939
        366.38   4.091    515
        164.00   1.832     32
        162.13   1.811     52
        155.75   1.740    142
        153.56   1.715    113
        151.56   1.693     94
        149.13   1.666    282
        147.00   1.642    197
        142.25   1.589    327
        139.94   1.563    223
        136.13   1.520    290
        133.06   1.486    104
        131.63   1.470    182
        130.06   1.453    231
        128.31   1.433    226
        124.38   1.389    196
        121.50   1.357    221
        119.88   1.339    126
        118.94   1.329    101
        118.13   1.320    105
        115.06   1.285    190
        111.63   1.247     44
        111.19   1.242     43
        110.25   1.232     46
        108.56   1.213     87
        104.69   1.169     31
         91.19   1.019    504
         84.75   0.947   1000
         78.56   0.878    219
         77.31   0.864    254
         75.44   0.843    141
         72.81   0.813     44
    

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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