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79-09-4

丙酸(79-09-4)核磁图(1HNMR)

产品名称:丙酸

CAS:79-09-4

分子式:C3H6O2

分子量: 74.08

InChI:InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)

InChIKey: XBDQKXXYIPTUBI-UHFFFAOYSA-N

Smiles:C(O)(=O)CC

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    Mass

    MS-NW-5502          
    propionic acid
    C3H6O2              (Mass of molecular ion:     74)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       2.5
          15.0       2.9
          18.0       1.6
          25.0       2.8
          26.0      17.8
          27.0      58.9
          28.0     100.0
          29.0      85.8
          30.0      15.5
          31.0       4.0
          42.0       3.1
          43.0       2.7
          44.0       1.1
          45.0      50.9
          46.0       5.4
          47.0       3.3
          53.0       1.6
          55.0      12.6
          56.0      11.9
          57.0      25.6
          58.0       1.1
          73.0      43.3
          74.0      72.7
          75.0       3.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C3 H6 O2 0.04 ml : 0.5 ml CDCl3
    propionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.73 B 2.380 C 1.159

         Hz     ppm     Int.
    

       1050.85  11.734    142
        225.93   2.523     94
        225.16   2.515    117
        217.72   2.431    421
        210.97   2.356    223
        210.21   2.348    505
        203.28   2.270    150
        202.60   2.263    163
        110.91   1.239    481
        103.65   1.158   1000
        103.22   1.153    763
         95.87   1.071    362
    

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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