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Back ChemicalBook Home>CAS DataBase List>103-23-1More Spectrum> Bis(2-ethylhexyl) adipate(103-23-1) MS

Bis(2-ethylhexyl) adipate(103-23-1) MS

Molecular FormulaC22H42O4

Molecular Weight370.57

InChIInChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3

InChIKey SAOKZLXYCUGLFA-UHFFFAOYSA-N

SmilesC(OCC(CC)CCCC)(=O)CCCCC(OCC(CC)CCCC)=O


  • Mass

    MS-NW-5535          
    di-2-ethylhexyl adipate
    C22H42O4            (Mass of molecular ion:    370)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.0
          27.0       4.5
          28.0       2.2
          29.0       9.8
          39.0       2.9
          41.0      18.7
          42.0       4.8
          43.0      20.7
          53.0       1.2
          54.0       1.4
          55.0      23.3
          56.0      10.8
          57.0      41.9
          58.0       2.1
          59.0       1.8
          67.0       1.2
          68.0       1.5
          69.0       7.4
          70.0      35.1
          71.0      29.7
          72.0       1.8
          73.0       1.3
          82.0       2.4
          83.0      13.6
          84.0       8.3
          85.0       1.4
          87.0       5.7
          97.0       1.3
         100.0       5.1
         101.0       8.1
         102.0       2.7
         111.0      10.8
         112.0      27.0
         113.0      16.0
         114.0       1.4
         128.0       4.4
         129.0     100.0
         130.0       7.1
         131.0       1.1
         142.0       2.1
         146.0       2.5
         147.0      14.3
         148.0       1.1
         199.0       1.4
         212.0       1.5
         241.0       7.0
         242.0       1.2
         259.0       2.7
    

90 MHz in CDCl3

400 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C22 H42 O4 0.04 ml : 0.5 ml CDCl3
    di-2-ethylhexyl adipate
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.99 B *1 3.98 C 2.32 D 1.66 E 1.54 to 1.14 F 0.90

         Hz     ppm     Int.
    

        359.69   4.017    458
        354.25   3.956    481
        215.19   2.403     63
        214.56   2.396     61
        214.19   2.392     61
        213.50   2.384     55
        212.88   2.377     55
        211.19   2.359     72
        210.56   2.352     66
        208.56   2.329    205
        206.69   2.308    119
        204.44   2.283     69
        202.69   2.264     84
        201.88   2.255    100
        155.81   1.740     92
        152.38   1.702    110
        152.06   1.698    110
        151.56   1.693    105
        148.75   1.661    241
        145.63   1.627    117
        144.88   1.618    125
        141.69   1.583     98
        139.81   1.562     60
        139.13   1.554     53
        138.81   1.550     51
        138.44   1.546     53
        136.06   1.520     57
        134.38   1.501     86
        133.06   1.486     65
        131.75   1.472     57
        131.06   1.464     56
        129.19   1.443     90
        127.38   1.423    215
        122.06   1.363    154
        121.75   1.360    151
        119.63   1.336    273
        117.50   1.312    446
        117.38   1.311    446
        114.50   1.279    647
        113.38   1.266    674
        109.13   1.219    125
        107.94   1.206    157
        105.31   1.176     65
        104.81   1.171     61
        103.75   1.159     53
        103.06   1.151     49
        102.13   1.141     48
        101.63   1.135     46
        100.38   1.121     47
         92.19   1.030     55
         90.00   1.005     46
         86.00   0.961    399
         82.00   0.916    140
         79.56   0.889   1000
         71.94   0.804    185
         70.00   0.782     99
    


  • 1H NMR 399.65 MHz
    C22 H42 O4 0.04 ml : 0.5 ml CDCl3
    di-2-ethylhexyl adipate
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.00 B *1 3.99 C 2.332 D 1.670 E 1.565 F 1.35 G 1.34 to 1.23 J 0.90 K 0.89 J(A,B)=10.9HZ. J(A,E)=5.8HZ. J(B,E)=6.0HZ.

         Hz     ppm     Int.
    

       1609.38   4.027     43
       1603.64   4.013     52
       1598.51   4.000    286
       1596.07   3.994    313
       1592.77   3.986    298
       1590.09   3.979    302
       1585.21   3.967     44
       1579.22   3.952     41
        941.89   2.357     41
        938.96   2.350    109
        937.74   2.347    113
        936.40   2.344    111
        934.57   2.339    138
        931.88   2.332    273
        925.90   2.317    115
        924.80   2.315    130
        921.88   2.307     42
        677.49   1.696     41
        674.56   1.688    121
        673.34   1.685    106
        670.53   1.678    160
        667.36   1.670    328
        664.18   1.662    156
        661.62   1.656     94
        660.28   1.653    113
        657.35   1.645     33
        631.84   1.581     60
        625.85   1.566     86
        619.75   1.551     72
        613.77   1.536     35
        556.40   1.393     58
        555.05   1.389     66
        548.58   1.373    181
        547.73   1.371    176
        542.36   1.358    162
        541.02   1.354    277
        534.67   1.338    177
        533.69   1.336    225
        530.15   1.327    108
        526.49   1.318    166
        525.39   1.315    150
        521.85   1.306    249
        516.97   1.294    419
        514.77   1.289    697
        513.67   1.286    729
        503.17   1.260     75
        375.24   0.939     38
        363.40   0.910    597
        357.79   0.896    616
        355.83   0.891   1000
        350.83   0.878    275
        348.39   0.872    466
    

in CDCl3



CCl4 solution



liquid film



Bis(2-ethylhexyl) adipate(103-23-1) MS Atlas of Related Products

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