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79-09-4

丙酸(79-09-4)質(zhì)譜(MS)

產(chǎn)品名稱: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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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