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108-59-8

丙二酸二甲酯(108-59-8)質(zhì)譜(MS)

產(chǎn)品名稱:丙二酸二甲酯

CAS:108-59-8

分子式:C5H8O4

分子量: 132.11

InChI:InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3

InChIKey: BEPAFCGSDWSTEL-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-0569          
dimethyl malonate
C5H8O4              (Mass of molecular ion:    132)


       Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV


          14.0       4.4
      15.0      45.7
      18.0       2.0
      27.0       3.8
      28.0       3.5
      29.0      15.2
      30.0       1.6
      31.0       6.5
      32.0       2.3
      41.0       4.0
      42.0      25.7
      43.0      18.4
      44.0       2.0
      45.0       9.1
      57.0      25.1
      58.0       5.8
      59.0      89.1
      60.0       2.1
      69.0      13.0
      70.0       1.0
      74.0      44.5
      75.0       1.6
     100.0       5.6
     101.0     100.0
     102.0       4.8
     104.0       2.1
     132.0       2.5

parameter in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C5 H8 O4 0.04 ml : 0.5 ml CDCl3
    dimethyl malonate
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         3.752
     
      D(B)         3.398
  

         Hz     ppm     Int.


       1125.60   3.752   1000
   1019.40   3.398    333

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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