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Back ChemicalBook Home>CAS DataBase List>627-93-0More Spectrum> Dimethyl adipate(627-93-0) MS

Dimethyl adipate(627-93-0) MS

Product NameDimethyl adipate

CAS627-93-0

Molecular FormulaC8H14O4

Molecular Weight174.19

InChIInChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3

InChIKey UDSFAEKRVUSQDD-UHFFFAOYSA-N

SmilesC(OC)(=O)CCCCC(OC)=O


  • Mass

    MS-IW-8018          
    dimethyl adipate
    C8H14O4             (Mass of molecular ion:    174)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0      21.1
          18.0       2.7
          26.0       2.4
          27.0      13.8
          28.0      11.8
          29.0      13.9
          30.0       1.1
          31.0       6.9
          32.0       2.2
          39.0      12.2
          40.0       2.1
          41.0      25.9
          42.0      15.4
          43.0      32.8
          44.0       4.2
          45.0       6.8
          51.0       1.4
          53.0       5.1
          54.0      11.0
          55.0      77.4
          56.0      10.2
          57.0       5.3
          58.0       2.2
          59.0     100.0
          60.0       3.5
          66.0       1.3
          67.0       1.2
          68.0       5.3
          69.0      10.6
          71.0       5.0
          72.0       9.8
          73.0      34.9
          74.0      51.0
          75.0       2.3
          81.0       1.9
          82.0      16.9
          83.0      33.4
          84.0       4.1
          85.0       1.3
          86.0       1.6
          87.0      17.2
          88.0       4.0
          97.0       6.9
          98.0       1.1
          99.0       3.2
         100.0       5.0
         101.0      81.6
         102.0       4.8
         110.0       6.2
         111.0      87.0
         112.0       6.1
         113.0       2.9
         114.0      98.3
         115.0      24.4
         116.0       1.9
         125.0       1.0
         129.0       1.6
         142.0      17.1
         143.0      74.8
         144.0       5.8
         175.0       1.9
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H14 O4 0.04 ml : 0.5 ml CDCl3
    dimethyl adipate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.688 B 2.32 C 1.66

         Hz     ppm     Int.
    

        328.56   3.669   1000
        216.06   2.413     31
        215.31   2.405     29
        215.13   2.403     29
        214.88   2.400     29
        213.94   2.389     29
        212.00   2.368     37
        209.56   2.340    104
        205.56   2.296     41
        202.81   2.265     53
        155.88   1.741     46
        154.94   1.731     31
        152.25   1.700     56
        148.88   1.663    116
        145.63   1.627     53
        144.88   1.618     54
        143.25   1.600     27
        141.88   1.585     34
    

in CDCl3



liquid film



4880 A,200 M,liquid



Dimethyl adipate(627-93-0) MS Atlas of Related Products

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