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595-46-0

二甲基丙二酸(595-46-0)Raman光譜

產品名稱:二甲基丙二酸

CAS:595-46-0

分子式:C5H8O4

分子量: 132.11

InChI:InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)

InChIKey: OREAFAJWWJHCOT-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-KW-0579          
dimethylmalonic acid
C5H8O4              (Mass of molecular ion:    132)


       Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV


          15.0       3.3
      16.0       1.0
      17.0       2.3
      18.0      13.5
      26.0       4.3
      27.0      32.8
      28.0      13.7
      29.0       8.2
      31.0       9.7
      37.0       2.1
      38.0       3.8
      39.0      31.1
      40.0       8.3
      41.0      85.0
      42.0      56.7
      43.0      80.3
      44.0      55.9
      45.0      65.3
      46.0       3.2
      47.0       2.6
      53.0       2.8
      55.0      16.8
      56.0       2.3
      57.0       1.9
      58.0       2.5
      59.0      18.9
      60.0       5.8
      68.0       4.6
      69.0      13.6
      70.0     100.0
      71.0       7.2
      72.0       1.3
      73.0      87.2
      74.0       4.1
      85.0       3.0
      86.0      22.9
      87.0      42.4
      88.0      41.3
      89.0       2.1
      99.0       4.7
     114.0       6.8
     115.0       7.1
     132.0       7.6
     133.0       1.1

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C5H8O4 0.039 g : 0.5 ml DMSO-d6
    dimethylmalonic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
     A           1.285
  

         Hz     ppm     Int.


       5038.88  12.605      2
    577.02   1.444      5
    534.52   1.338      6
    523.90   1.311     17
    513.27   1.284   1000
    447.51   1.120      5

in DMSO-d6

D2O

  • 圖譜

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KBr disc

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nujol mull

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4880 A,200 M,powder

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