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丙酸乙烯基酯 (105-38-4)核磁图(13CNMR)

产品名称:丙酸乙烯基酯

CAS:105-38-4

分子式:C5H8O2

分子量: 100.12

InChI:InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3

InChIKey: UIWXSTHGICQLQT-UHFFFAOYSA-N

Smiles:C(OC=C)(=O)CC


  • Mass

    MS-NW-7692          
    vinyl propionate
    C5H8O2              (Mass of molecular ion:    100)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       1.5
          15.0       4.0
          26.0       4.9
          27.0      23.0
          28.0       6.4
          29.0      96.5
          30.0       2.1
          42.0       3.4
          43.0      12.0
          44.0      11.6
          55.0       1.7
          56.0       2.6
          57.0     100.0
          58.0       3.5
         100.0       4.3
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C5 H8 O2 10.2 mol% in CDCl3
    vinyl propionate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.528 D(B) 4.362 D(C) 4.079 J(A,B) 13.97 J(A,C) 6.32 J(B,C) 1.55 D(D) 2.165 D(E) 1.056 J(D,E) 7.54

         Hz     ppm     Int.
    

       1968.64   6.562    173
       1962.38   6.541    176
       1954.68   6.516    180
       1948.41   6.495    183
       1316.28   4.388    188
       1314.79   4.383    195
       1302.32   4.341    181
       1300.83   4.336    186
       1227.63   4.092    192
       1226.09   4.087    187
       1221.32   4.071    190
       1219.78   4.066    183
        660.94   2.203    150
        653.40   2.178    482
        645.85   2.153    497
        638.36   2.128    172
        324.26   1.081    519
        316.77   1.056   1000
        309.22   1.031    474
    

in CDCl3



liquid film



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