二甲基丙二酸(595-46-0)紅外圖譜(IR2)

產(chǎn)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

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

¹H NMR	399.65 MHz
C₅H₈O₄	0.039 g : 0.5 ml DMSO-d₆
dimethylmalonic acid

    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