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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>105-53-3更多圖譜> 丙二酸二乙酯(105-53-3)紅外圖譜(IR1)

105-53-3

丙二酸二乙酯(105-53-3)紅外圖譜(IR1)

產(chǎn)品名稱:丙二酸二乙酯

CAS:105-53-3

分子式:C7H12O4

分子量: 160.17

InChI:InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3

InChIKey: IYXGSMUGOJNHAZ-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-8354          
diethyl malonate
C7H12O4             (Mass of molecular ion:    160)


       Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV


          14.0       2.0
      15.0       4.8
      19.0       1.2
      26.0       2.5
      27.0      20.2
      28.0       7.3
      29.0     100.0
      30.0       3.0
      31.0      11.9
      41.0       3.9
      42.0      26.7
      43.0      70.0
      44.0       3.3
      45.0      17.2
      46.0       1.1
      55.0       1.0
      59.0       1.5
      60.0      19.5
      61.0       8.3
      69.0       3.9
      70.0       4.8
      73.0       3.2
      86.0       2.3
      87.0      10.0
      88.0      25.7
      89.0       1.7
     105.0       4.3
     114.0       1.1
     115.0      58.8
     116.0       3.4
     132.0       1.6
     133.0      33.8
     134.0       1.9
     160.0       1.1

parameter in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C7 H12 O4 0.04 ml : 0.5 ml CDCl3
    diethyl malonate
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         4.206
      D(B)         1.285
       J(A,B)          7.1
     
      D(C)         3.361
  

         Hz     ppm     Int.


       1272.50   4.242    163
   1265.41   4.218    494
   1258.29   4.194    500
   1251.20   4.171    171
   1008.29   3.361    669
    392.57   1.309    507
    385.51   1.285   1000
    378.39   1.261    488

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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