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77-25-8

二乙基丙二酸二乙酯(77-25-8)Raman光谱

分子式:C11H20O4

分子量: 216.27

InChI:InChI=1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3

InChIKey: ZKBBUZRGPULIRN-UHFFFAOYSA-N

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

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    Mass

    MS-NW-9243          
    diethyl diethylmalonate
    C11H20O4            (Mass of molecular ion:    216)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          18.0       1.0
          26.0       1.5
          27.0      17.1
          28.0       4.9
          29.0     100.0
          30.0       2.5
          31.0       2.8
          39.0       6.5
          40.0       1.4
          41.0      30.4
          42.0       3.7
          43.0      28.6
          44.0       2.1
          45.0      35.3
          53.0       3.8
          54.0       1.3
          55.0      23.4
          56.0       2.4
          57.0      24.1
          58.0       1.2
          59.0      10.2
          67.0       2.7
          68.0       3.1
          69.0      49.8
          70.0       5.2
          71.0      10.2
          72.0       1.0
          73.0      39.9
          74.0       2.0
          81.0       1.6
          83.0      16.7
          84.0       2.9
          85.0       2.9
          86.0       6.9
          87.0      21.4
          88.0       2.4
          95.0       2.2
          96.0       3.5
          97.0      25.6
          98.0      13.8
          99.0      26.6
         100.0       2.8
         101.0      53.5
         102.0       4.4
         113.0       8.1
         114.0      23.9
         115.0      71.8
         116.0      15.2
         117.0       1.5
         127.0      11.4
         128.0       1.8
         129.0      50.9
         130.0       5.3
         131.0       1.6
         141.0      13.9
         142.0      36.2
         143.0      63.5
         144.0      21.1
         145.0       2.7
         155.0       1.0
         157.0       6.5
         160.0       1.8
         170.0       4.4
         171.0      37.9
         172.0       4.0
         173.0      36.5
         174.0       4.6
         187.0       3.8
         188.0      60.8
         189.0       6.7
         217.0       1.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C11 H20 O4 0.04 ml : 0.5 ml CDCl3
    diethyl diethylmalonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.177 B 1.917 C 1.246 D 0.821

         Hz     ppm     Int.
    

        385.25   4.302    111
        378.00   4.221    434
        370.88   4.142    454
        363.88   4.063    133
        184.56   2.061     47
        183.69   2.052     47
        176.38   1.970    202
        168.81   1.885    253
        161.94   1.809     79
        161.13   1.800     76
        118.50   1.324    450
        115.50   1.290     23
        111.50   1.245   1000
        104.31   1.165    402
         80.38   0.898    259
         73.13   0.817    508
         65.38   0.731    178
    

in CDCl3

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liquid film

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