19074-24-9

十二碳二酸二(2-乙基己基)酯(19074-24-9)核磁图(¹HNMR)

CAS:19074-24-9

分子式:C28H54O4

分子量: 454.73

InChI:InChI=1S/C28H54O4/c1-5-9-19-25(7-3)23-31-27(29)21-17-15-13-11-12-14-16-18-22-28(30)32-24-26(8-4)20-10-6-2/h25-26H,5-24H2,1-4H3

InChIKey: MTPSFISGWJGUGN-UHFFFAOYSA-N

Smiles:C(OCC(CC)CCCC)(=O)CCCCCCCCCCC(OCC(CC)CCCC)=O

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2635          
bis(2-ethylhexyl) dodecanedioate
C28H54O4            (Mass of molecular ion:    454)

   Source Temperature: 180 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      29.0       2.4
      41.0       7.7
      42.0       2.2
      43.0      11.2
      55.0      12.5
      56.0       5.5
      57.0      26.1
      58.0       1.6
      67.0       1.8
      68.0       1.5
      69.0       8.9
      70.0      21.2
      71.0      22.0
      72.0       1.4
      73.0       1.1
      81.0       2.1
      82.0       2.5
      83.0      11.6
      84.0       7.3
      85.0       1.3
      95.0       1.3
      97.0       3.9
      98.0      11.8
      99.0       1.3
     101.0       1.0
     110.0       1.2
     111.0       3.4
     112.0      44.2
     113.0      20.6
     114.0       1.8
     115.0       1.6
     125.0       2.1
     129.0       1.5
     135.0       1.1
     149.0       2.3
     152.0       1.0
     153.0       3.7
     157.0       2.3
     166.0       1.3
     167.0       2.4
     170.0       1.1
     171.0       8.3
     172.0       1.2
     186.0       3.5
     193.0       1.0
     194.0       1.9
     195.0       1.1
     212.0       1.2
     213.0     100.0
     214.0      13.8
     215.0       1.6
     227.0       1.0
     231.0       4.0
     249.0       1.1
     268.0       1.2
     283.0       3.0
     298.0       2.0
     324.0       1.1
     325.0      13.6
     326.0       3.2
     342.0       1.0
     343.0      15.1
     344.0       3.4
     454.0       2.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₈ H₅₄ O₄	0.05 ml : 0.5 ml CDCl₃
bis(2-ethylhexyl) dodecanedioate

    Assign.     Shift(ppm)

      A     *1      3.990
      B     *1      3.982
      C             2.294
      D             1.62
      E             1.57
      F             1.36
      G             1.29
      J             0.89
     
     ASSIGNED BY C-H AND H-H COSY.

     Hz     ppm     Int.

   1601.81   4.009     34
   1596.68   3.996    344
   1595.09   3.992    332
   1590.82   3.981    338
   1589.23   3.977    325
   1584.23   3.965     31
   1578.25   3.950     30
    924.56   2.314    268
    917.11   2.295    463
    909.55   2.276    299
    653.69   1.636     98
    646.48   1.618    144
    639.04   1.599    117
    632.20   1.582     85
    629.52   1.576     50
    626.22   1.567     83
    620.24   1.552     67
    614.26   1.537     31
    557.74   1.396     56
    556.40   1.393     54
    550.05   1.377    176
    548.95   1.374    146
    543.70   1.361    164
    542.48   1.358    271
    536.13   1.342    186
    535.03   1.339    225
    527.83   1.321    205
    523.07   1.309    378
    519.17   1.300    644
    514.89   1.289    951
    364.14   0.912    637
    357.91   0.896    664
    356.69   0.893   1000
    350.83   0.878    251
    349.12   0.874    464

in CDCl3