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1619-62-1

二甲基丙二酸二乙酯(1619-62-1)核磁图(13CNMR)

分子式:C9H16O4

分子量: 188.22

InChI:InChI=1S/C9H16O4/c1-5-12-7(10)9(3,4)8(11)13-6-2/h5-6H2,1-4H3

InChIKey: UELKSYXXNGHTSE-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6385          
    diethyl dimethylmalonate
    C9H16O4             (Mass of molecular ion:    188)
    

       Source Temperature: 270 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       4.0
          18.0       2.5
          26.0       4.4
          27.0      28.6
          28.0       5.9
          29.0     100.0
          30.0       2.4
          31.0       6.3
          39.0      10.2
          40.0       3.8
          41.0      29.9
          42.0      22.3
          43.0      15.0
          44.0       3.4
          45.0       9.6
          55.0       1.3
          59.0      48.8
          60.0       2.5
          69.0      12.9
          70.0      37.4
          71.0      13.0
          73.0      33.6
          74.0       1.5
          85.0       1.2
          86.0       4.8
          87.0      61.0
          88.0      84.2
          89.0       5.6
          99.0       1.8
         114.0       1.4
         115.0      32.7
         116.0      58.3
         117.0       5.0
         142.0       1.2
         143.0      34.2
         144.0       3.9
         161.0       1.8
         188.0       2.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H16 O4 0.05 ml : 0.5 ml CDCl3
    diethyl dimethylmalonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.183 B 1.423 C 1.253

         Hz     ppm     Int.
    

       1682.74   4.211    184
       1675.66   4.193    463
       1668.46   4.175    467
       1661.38   4.158    194
        570.68   1.428   1000
        563.96   1.412     37
        508.18   1.272    480
        501.10   1.254    752
        493.90   1.236    481
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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