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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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