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Bis(2-ethylhexyl) adipate

Product Name Bis(2-ethylhexyl) adipate

CAS103-23-1

MFC22H42O4

MW370.57

¹³CNMR

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

    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

    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

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