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3878-55-5

丁二酸單甲酯(3878-55-5)紅外圖譜(IR2)

產(chǎn)品名稱(chēng):丁二酸單甲酯

CAS:3878-55-5

分子式:C5H8O4

分子量: 132.11

InChI:InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)

InChIKey: JDRMYOQETPMYQX-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-7242          
methyl hydrogen succinate
C5H8O4              (Mass of molecular ion:    132)


       Source Temperature: 210 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          14.0       1.4
      15.0      19.3
      26.0       6.1
      27.0      22.5
      28.0      17.8
      29.0      28.6
      30.0       1.1
      31.0       7.8
      32.0       1.5
      33.0       1.3
      41.0       1.1
      42.0       4.8
      43.0       7.4
      45.0      26.8
      53.0       1.1
      55.0      49.9
      56.0      13.6
      57.0       6.9
      59.0      23.9
      60.0       2.5
      72.0       2.3
      73.0      22.9
      74.0       1.4
      77.0       2.1
      83.0       1.0
      87.0       5.6
      88.0       5.4
     100.0       9.2
     101.0     100.0
     102.0       4.9
     114.0      13.3
     115.0       3.9

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C5 H8 O4 0.039 g : 0.5 ml CDCl3
    methyl hydrogen succinate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            11.24
      B             3.707
      C             2.66
  

         Hz     ppm     Int.


       1007.10  11.245     61
    332.06   3.708   1000
    241.74   2.700     90
    240.45   2.685    215
    238.66   2.665    574
    236.87   2.645    200
    235.58   2.631    104
    231.31   2.583     25
    230.29   2.572     31

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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