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617-35-6

丙酮酸乙酯(617-35-6)核磁图(1HNMR)

产品名称:丙酮酸乙酯

CAS:617-35-6

分子式:C5H8O3

分子量: 116.12

InChI:InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3

InChIKey: XXRCUYVCPSWGCC-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C(=O)C

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    Mass

    MS-IW-6312          
    ethyl pyruvate
    C5H8O3              (Mass of molecular ion:    116)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          14.0       1.8
          15.0      10.3
          26.0       1.8
          27.0      12.0
          28.0       3.0
          29.0      33.0
          30.0       1.0
          31.0       1.0
          42.0       5.7
          43.0     100.0
          44.0       5.1
          45.0       5.9
          57.0       1.7
          59.0       1.4
          61.0       2.6
          73.0       2.0
         116.0       4.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H8 O3 0.05 ml : 0.5 ml CDCl3
    ethyl pyruvate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.322 B 2.471 C 1.376

         Hz     ppm     Int.
    

        398.00   4.444     47
        390.88   4.365    175
        383.75   4.285    183
        376.63   4.206     56
        221.31   2.472   1000
        130.13   1.453    182
        123.06   1.375    367
        115.88   1.294    161
    

in CDCl3

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liquid film

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