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辛二酸二甲酯(1732-09-8)核磁图(1HNMR)

产品名称:辛二酸二甲酯

CAS:1732-09-8

分子式:C10H18O4

分子量: 202.25

InChI:InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3

InChIKey: LNLCRJXCNQABMV-UHFFFAOYSA-N

Smiles:C(OC)(=O)CCCCCCC(OC)=O


  • Mass

    MS-NW-7598          
    dimethyl suberate
    C10H18O4            (Mass of molecular ion:    202)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       1.0
          15.0      26.4
          18.0       3.0
          26.0       2.0
          27.0      17.5
          28.0       7.3
          29.0      14.2
          30.0       1.8
          31.0       9.8
          32.0       4.4
          38.0       1.2
          39.0      17.0
          40.0       4.6
          41.0      48.9
          42.0       9.1
          43.0      43.6
          44.0       5.1
          45.0       8.4
          50.0       1.2
          51.0       2.1
          52.0       1.3
          53.0       6.1
          54.0       6.5
          55.0      53.8
          55.5       1.2
          56.0       9.4
          56.5       1.0
          57.0       4.9
          58.0       1.1
          58.5       5.2
          59.0      39.0
          60.0       1.7
          65.0       2.1
          66.0       2.1
          67.0      10.9
          68.0      17.5
          69.0      86.8
          70.0       6.9
          71.0       2.2
          72.0       2.5
          73.0       7.6
          74.0     100.0
          75.0       5.2
          77.0       2.7
          78.0       2.1
          79.0       5.2
          80.0       1.2
          81.0       5.9
          82.0      10.6
          83.0      39.7
          84.0      10.0
          85.0       4.5
          87.0      34.2
          88.0       4.7
          91.0       4.0
          92.0       2.0
          93.0       3.4
          94.0       2.3
          95.0       1.9
          96.0       4.7
          97.0      74.8
          98.0       5.9
          99.0       2.5
         100.0       1.6
         101.0       8.9
         102.0       1.0
         109.0       2.3
         110.0      20.5
         111.0      27.5
         112.0       3.2
         113.0       4.3
         114.0      13.0
         115.0       3.7
         116.0       2.2
         120.0       1.5
         121.0       1.2
         125.0       1.0
         127.0       4.0
         128.0       4.6
         129.0      93.6
         130.0       7.7
         137.0       2.4
         138.0      81.3
         139.0      20.6
         140.0       2.0
         142.0      12.5
         143.0       3.6
         170.0       3.8
         171.0      57.4
         172.0       6.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C10 H18 O4 0.05 ml : 0.5 ml CDCl3
    dimethyl suberate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.653 B 2.284 C 1.64 D 1.39

         Hz     ppm     Int.
    

        327.25   3.654   1000
        213.38   2.383     51
        212.44   2.373     53
        205.81   2.299    138
        198.69   2.219    105
        153.44   1.714     41
        152.25   1.700     39
        152.13   1.699     39
        146.13   1.632     54
        140.56   1.570     47
        139.38   1.557     41
        137.56   1.536     43
        132.75   1.483     38
        132.63   1.481     38
        125.94   1.407     77
        123.38   1.378     67
        122.31   1.366     59
        120.50   1.346     66
        117.81   1.316     44
        115.88   1.294     38
    

in CDCl3



liquid film



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