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328-50-7

α-酮戊二酸(328-50-7)質譜(MS)

產品名稱:α-酮戊二酸

CAS:328-50-7

分子式:C5H6O5

分子量: 146.1

InChI:InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)

InChIKey: KPGXRSRHYNQIFN-UHFFFAOYSA-N

Smiles:C(O)(=O)C(=O)CCC(O)=O

  • 圖譜
    Mass 

    MS-NW-0186          
2-oxoglutaric acid
C5H6O5              (Mass of molecular ion:    146)


       Source Temperature: 195 °C
   Sample Temperature:   0 °C
   Direct, 75 eV


           2.0       1.2
      14.0       3.7
      15.0       3.0
      17.0       1.5
      18.0       2.0
      19.0       1.3
      25.0       3.1
      26.0      24.3
      27.0      68.5
      28.0      37.4
      29.0      69.6
      30.0       3.2
      31.0       7.2
      37.0       2.4
      38.0       2.5
      39.0       4.0
      41.0       1.9
      42.0      16.2
      43.0      14.5
      44.0       5.5
      45.0     100.0
      46.0       5.2
      47.0       1.2
      53.0       5.0
      54.0       2.2
      55.0      74.7
      56.0      13.9
      57.0       2.6
      60.0       2.8
      73.0      41.6
      74.0      25.5
      75.0       1.1
      83.0       1.6
      84.0       1.4
     101.0      75.2
     102.0       3.8
     129.0       2.7

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C5 H6 O5 0.040 g : 0.5 ml DMSO-d6
    2-oxoglutaric acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            13.0
      B             3.001
      C             2.490
  

         Hz     ppm     Int.


       1206.30   3.019    557
   1199.95   3.003   1000
   1193.36   2.987    630
   1018.31   2.549     23
   1016.85   2.545     26
   1014.89   2.540     51
   1012.94   2.535     65
   1001.46   2.506    730
    994.87   2.490    989
    988.53   2.474    550

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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