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10471-28-0

十二烷二酸二乙酯(10471-28-0)核磁图(13CNMR)

分子式:C16H30O4

分子量: 286.41

InChI:InChI=1S/C16H30O4/c1-3-19-15(17)13-11-9-7-5-6-8-10-12-14-16(18)20-4-2/h3-14H2,1-2H3

InChIKey: AFYNPRWLOKYLDU-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7833          
    diethyl dodecanedioate
    C16H30O4            (Mass of molecular ion:    286)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.7
          26.0       1.2
          27.0      11.6
          28.0       6.8
          29.0      47.4
          30.0       1.4
          31.0       2.3
          39.0       6.1
          40.0       1.8
          41.0      40.2
          42.0      10.1
          43.0      21.6
          44.0       1.0
          45.0      13.1
          53.0       3.4
          54.0       5.0
          55.0      52.3
          56.0       8.5
          57.0      10.9
          58.0       2.2
          59.0       4.6
          60.0      21.3
          61.0      18.2
          67.0      11.8
          68.0       5.5
          69.0      46.9
          70.0      18.4
          71.0       8.3
          73.0      16.1
          74.0       2.8
          79.0       4.2
          80.0       3.2
          81.0      14.2
          82.0       4.6
          83.0      28.7
          84.0      38.0
          85.0       5.1
          87.0       4.5
          88.0      45.9
          89.0       5.3
          91.0       1.7
          92.0       1.2
          93.0       5.5
          94.0       2.7
          95.0       8.5
          96.0       7.7
          97.0      24.0
          98.0     100.0
          99.0       8.3
         101.0      28.1
         102.0       3.2
         105.0       1.1
         106.0       1.1
         107.0       5.3
         108.0       3.7
         109.0       7.0
         110.0       5.3
         111.0      21.8
         112.0      37.2
         113.0       4.1
         114.0       1.1
         115.0       7.9
         116.0       2.1
         119.0       1.2
         121.0       2.6
         122.0       1.6
         123.0       4.3
         124.0       3.8
         125.0       8.9
         126.0       4.5
         127.0       1.4
         128.0       1.3
         129.0       7.4
         130.0       3.2
         133.0       1.8
         134.0       4.3
         135.0      20.4
         136.0       2.7
         137.0       2.1
         138.0       4.8
         139.0       2.5
         140.0       1.0
         142.0       2.4
         143.0       8.7
         144.0       3.0
         147.0       2.1
         148.0       2.5
         149.0      10.3
         150.0       2.5
         151.0       2.8
         152.0      13.9
         153.0      42.1
         154.0       5.3
         155.0       1.8
         156.0       3.3
         157.0      15.4
         158.0       3.0
         159.0       1.4
         165.0       1.9
         166.0      10.1
         167.0       8.0
         168.0       1.5
         171.0       2.5
         172.0       1.0
         175.0       1.1
         176.0       2.2
         177.0       1.8
         184.0       8.1
         185.0       2.6
         186.0       5.9
         193.0       1.5
         194.0      11.0
         195.0       5.3
         196.0       1.3
         198.0       7.1
         199.0      82.0
         200.0      11.7
         201.0       1.3
         212.0       1.5
         213.0       2.4
         214.0       6.9
         215.0       1.2
         240.0       4.8
         241.0      85.6
         242.0      13.5
         243.0       1.9
         286.0       2.8
         287.0       1.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C16 H30 O4 0.05 ml : 0.5 ml CDCl3
    diethyl dodecanedioate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.124 B 2.284 C 1.614 D 1.35 to 1.24 E 1.256

         Hz     ppm     Int.
    

       1658.94   4.151    175
       1651.73   4.133    480
       1644.65   4.116    483
       1637.45   4.098    174
        920.41   2.304    256
        912.96   2.285    406
        905.27   2.266    278
        659.42   1.650     36
        652.34   1.633    102
        645.14   1.615    141
        637.82   1.596    101
        632.69   1.584     30
        630.49   1.578     34
        513.55   1.285    510
        508.54   1.273    713
        501.34   1.255   1000
        494.26   1.237    525
    

in CDCl3

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liquid film

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