151-32-6

己二酸二壬酯(151-32-6)核磁图(¹HNMR)

产品名称:己二酸二壬酯

CAS:151-32-6

分子式:C24H46O4

分子量: 398.62

InChI:InChI=1S/C24H46O4/c1-3-5-7-9-11-13-17-21-27-23(25)19-15-16-20-24(26)28-22-18-14-12-10-8-6-4-2/h3-22H2,1-2H3

InChIKey: WIYAGHSNPUBKDT-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-6566          
dinonyl adipate
C24H46O4            (Mass of molecular ion:    398)

   Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      17.0       1.0
      18.0       4.4
      27.0       3.1
      28.0       2.0
      29.0      10.0
      39.0       3.3
      41.0      23.8
      42.0       6.4
      43.0      14.9
      44.0       1.0
      53.0       1.7
      54.0       1.3
      55.0      26.1
      56.0      10.4
      57.0     100.0
      58.0       5.1
      59.0       1.5
      67.0       2.2
      68.0       2.3
      69.0      22.6
      70.0      32.6
      71.0      35.2
      72.0       2.2
      73.0       1.5
      81.0       1.1
      82.0       1.1
      83.0      11.0
      84.0       7.4
      85.0       2.5
      95.0       3.5
      97.0       2.2
      98.0       2.4
     100.0       3.3
     101.0       5.7
     102.0       1.2
     109.0       1.1
     110.0       2.7
     111.0      11.3
     112.0       5.8
     113.0       1.6
     114.0       1.0
     115.0      23.1
     116.0       1.8
     126.0       8.9
     127.0       6.5
     128.0       1.4
     129.0      55.4
     130.0       4.2
     147.0       3.1
     170.0       2.2
     198.0       1.4
     199.0       3.1
     213.0       2.9
     226.0       8.4
     227.0       1.9
     228.0       1.6
     239.0       2.8
     241.0       1.4
     255.0      30.9
     256.0       5.3
     273.0      16.7
     274.0       3.1
     300.0       1.8
     342.0      10.5
     343.0       3.8
     383.0       4.2
     384.0       1.3
     398.0       2.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₄ H₄₆ O₄	0.05 ml : 0.5 ml CDCl₃
dinonyl adipate

    Assign.     Shift(ppm)

      A             4.089
      B             2.317
      C             1.662
      D          1.63 to 1.58
      E             1.46
      F             1.231
      G             1.086
      J             0.947
      K             0.892
     
     J(F,G)=14.0HZ
     ASSIGNED BY H-H COSY.

     Hz     ppm     Int.

   1640.38   4.105     57
   1634.64   4.091     98
   1633.67   4.088    107
   1627.69   4.073     68
   1626.83   4.071     68
    932.62   2.334     40
    931.40   2.331     38
    929.93   2.327     37
    928.10   2.323     48
    925.54   2.316     93
    923.10   2.310     49
    921.14   2.305     35
    919.56   2.301     37
    918.33   2.298     42
    671.75   1.681     48
    670.53   1.678     38
    667.60   1.671     61
    664.67   1.664    121
    661.38   1.655     67
    660.52   1.653     61
    658.81   1.649     37
    657.47   1.646     46
    654.30   1.638     47
    647.83   1.621     44
    644.17   1.612     43
    641.85   1.607     43
    638.06   1.597     42
    584.47   1.463     36
    578.37   1.448     36
    501.95   1.256     37
    498.41   1.248     35
    487.92   1.221     56
    484.50   1.213     53
    442.50   1.108     55
    436.52   1.093     54
    428.47   1.073     36
    422.49   1.058     35
    382.20   0.957    243
    375.49   0.940    241
    356.45   0.892   1000

in CDCl3