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105-37-3

丙酸乙酯(105-37-3)核磁图(13CNMR)

产品名称:丙酸乙酯

CAS:105-37-3

分子式:C5H10O2

分子量: 102.13

InChI:InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3

InChIKey: FKRCODPIKNYEAC-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CC

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    Mass

    MS-NW-0527          
    ethyl propionate
    C5H10O2             (Mass of molecular ion:    102)
    

       Source Temperature: 250 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          15.0       2.6
          26.0       5.1
          27.0      24.8
          28.0      14.7
          29.0     100.0
          30.0       3.0
          31.0       5.3
          41.0       1.1
          42.0       2.0
          43.0       4.0
          45.0      12.6
          55.0       1.5
          56.0       3.4
          57.0      91.3
          58.0       3.1
          73.0       5.6
          74.0       9.7
          75.0      11.6
          84.0       1.1
          87.0       1.7
         102.0      10.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H10 O2 0.05 ml : 0.5 ml CDCl3
    ethyl propionate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.132 B 2.319 C 1.259 D 1.140

         Hz     ppm     Int.
    

       1661.99   4.159    194
       1654.91   4.141    500
       1647.71   4.123    497
       1640.63   4.106    194
        938.35   2.348    185
        930.79   2.330    481
        926.64   2.319     31
        923.10   2.310    489
        915.53   2.291    193
        510.25   1.277    657
        507.69   1.271     45
        503.17   1.260   1000
        495.97   1.242    627
        493.41   1.235     35
        463.13   1.159    616
        460.45   1.153     44
        455.57   1.140    999
        453.00   1.134     62
        450.56   1.128     39
        447.88   1.121    578
    

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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