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15014-25-2

二苄基马来酸酯(15014-25-2)质谱(MS)

分子式:C17H16O4

分子量: 284.31

InChI:InChI=1S/C17H16O4/c18-16(20-12-14-7-3-1-4-8-14)11-17(19)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2

InChIKey: RYFCSKVXWRJEOB-UHFFFAOYSA-N

Smiles:C(OCC1=CC=CC=C1)(=O)CC(OCC1=CC=CC=C1)=O

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    Mass

    MS-NW-6457          
    dibenzyl malonate
    C17H16O4            (Mass of molecular ion:    284)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.1
          27.0       1.1
          28.0       1.1
          39.0       4.5
          41.0       1.3
          42.0       1.6
          43.0       3.7
          44.0       2.3
          50.0       1.8
          51.0       5.1
          52.0       1.5
          63.0       2.2
          65.0       8.9
          77.0       8.7
          78.0       2.3
          79.0      16.8
          80.0       1.5
          87.0       6.5
          89.0       2.9
          90.0       5.6
          91.0      68.3
          92.0      11.2
         105.0       2.4
         106.0       1.1
         107.0     100.0
         108.0      22.3
         109.0       1.6
         118.0       2.8
         150.0       1.2
         180.0       4.2
         193.0      12.3
         194.0       1.5
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C17 H16 O4 0.05 ml : 0.5 ml CDCl3
    dibenzyl malonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.50 B 5.332 C 3.618

         Hz     ppm     Int.
    

        671.63   7.500   1000
        477.56   5.333    362
        324.06   3.619    259
    

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    1H NMR 399.65 MHz
    C17 H16 O4 0.05 ml : 0.5 ml CDCl3
    dibenzyl malonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.30 B 5.131 C 3.426

         Hz     ppm     Int.
    

       2931.88   7.337     36
       2931.15   7.335     39
       2930.79   7.334     38
       2929.93   7.332     47
       2928.71   7.329     57
       2928.22   7.327     55
       2925.78   7.321    115
       2923.83   7.316     80
       2922.49   7.313     95
       2920.41   7.308    245
       2918.58   7.303    323
       2916.87   7.299   1000
       2916.14   7.297    924
       2910.89   7.284    124
       2910.16   7.282    102
       2908.69   7.279    108
       2905.03   7.269     34
       2904.54   7.268     34
       2902.83   7.264     36
       2050.42   5.131    778
       1369.38   3.427    626
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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