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105-53-3

丙二酸二乙酯(105-53-3)核磁图(1HNMR)

产品名称: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

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    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

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    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

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liquid film

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4880 A,200 M,liquid

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