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141-28-6

己二酸二乙酯(141-28-6)质谱(MS)

产品名称:己二酸二乙酯

CAS:141-28-6

分子式:C10H18O4

分子量: 202.25

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

InChIKey: VIZORQUEIQEFRT-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0838          
    diethyl adipate
    C10H18O4            (Mass of molecular ion:    202)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.3
          18.0       3.2
          26.0       3.1
          27.0      27.0
          28.0      18.2
          29.0      74.7
          30.0       1.9
          31.0       4.5
          32.0       1.5
          39.0       7.7
          40.0       1.4
          41.0      20.9
          42.0       9.7
          43.0      13.6
          45.0      13.8
          53.0       2.8
          54.0       5.0
          55.0      49.3
          56.0      12.8
          57.0       3.4
          58.0       1.5
          59.0      10.8
          60.0      17.3
          61.0      11.5
          68.0       2.8
          69.0       5.9
          70.0       6.9
          71.0       1.0
          73.0      26.3
          74.0       3.5
          82.0       3.0
          83.0      25.3
          84.0       6.7
          85.0       1.4
          87.0      11.0
          88.0      20.2
          89.0       1.1
          99.0       4.4
         100.0       6.5
         101.0      33.5
         102.0       4.2
         110.0       4.1
         111.0     100.0
         112.0       8.7
         114.0       1.7
         115.0      57.1
         116.0       3.9
         127.0       1.2
         128.0      57.7
         129.0      17.5
         130.0       3.6
         156.0      13.2
         157.0      95.5
         158.0       8.3
         202.0       1.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H18 O4 0.04 ml : 0.5 ml CDCl3
    diethyl adipate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.124 B 2.32 C 1.67 D 1.255

         Hz     ppm     Int.
    

        380.50   4.249    107
        373.31   4.169    355
        366.13   4.089    373
        359.06   4.010    128
        215.75   2.410     30
        214.50   2.396     47
        213.44   2.384     44
        213.31   2.382     44
        212.44   2.373     42
        211.88   2.366     41
        211.56   2.363     42
        210.31   2.349     55
        207.88   2.322    150
        206.06   2.301     87
        205.88   2.299     87
        203.75   2.276     51
        201.13   2.246     70
        155.81   1.740     70
        152.25   1.700     79
        151.63   1.694     72
        148.75   1.661    171
        146.31   1.634     59
        145.69   1.627     66
        144.81   1.617     73
        143.00   1.597     30
        141.63   1.582     45
        119.31   1.333    458
        112.25   1.254   1000
        110.56   1.235     38
        109.94   1.228     32
        105.06   1.174    401
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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