84-77-5

鄰苯二甲酸二癸酯(84-77-5)紅外圖譜(IR1)

分子式:C28H46O4

分子量: 446.66

InChI:InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3

InChIKey: PGIBJVOPLXHHGS-UHFFFAOYSA-N

Smiles:C1(C(OCCCCCCCCCC)=O)=CC=CC=C1C(OCCCCCCCCCC)=O

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3864          
didecyl phthalate
C28H46O4            (Mass of molecular ion:    446)

   Source Temperature: 150 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      27.0       1.0
      29.0       2.9
      39.0       1.0
      41.0       7.9
      42.0       2.7
      43.0      13.6
      54.0       1.1
      55.0       9.5
      56.0       5.3
      57.0      10.8
      67.0       1.4
      68.0       1.6
      69.0       6.0
      70.0       4.6
      71.0       5.0
      76.0       2.1
      82.0       1.7
      83.0       4.4
      84.0       2.2
      85.0       4.2
      97.0       2.5
      98.0       1.2
     104.0       2.8
     105.0       1.7
     111.0       1.3
     112.0       1.6
     123.0       1.5
     140.0       2.3
     141.0       1.7
     148.0       1.0
     149.0     100.0
     150.0      10.4
     151.0       1.2
     167.0       3.8
     289.0       3.3
     290.0       1.5
     307.0      25.1
     308.0       5.0
     446.0       2.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₈ H₄₆ O₄	0.05 ml : 0.5 ml CDCl₃
didecyl phthalate

    Assign.     Shift(ppm)

      A             7.712
      B             7.514
      C             4.296
      D             1.728
      E             1.40
      F             1.32
      G             1.27
      J             0.877

     Hz     ppm     Int.

   3087.40   7.726    272
   3083.98   7.717    280
   3081.54   7.711    271
   3078.25   7.703    344
   3074.46   7.693     43
   3073.73   7.692     41
   3011.96   7.537     32
   3011.11   7.535     41
   3007.32   7.525    327
   3003.91   7.517    232
   3001.59   7.511    266
   2998.29   7.503    285
   2994.63   7.494     32
   1724.00   4.314    352
   1717.16   4.297    712
   1710.45   4.280    368
    705.44   1.766     59
    698.73   1.749    186
    691.77   1.731    240
    683.84   1.712    225
    677.00   1.694     88
    567.99   1.422    102
    566.04   1.417    105
    560.91   1.404    164
    557.37   1.395    143
    552.37   1.383    150
    546.14   1.367    126
    538.33   1.348    152
    526.00   1.317    256
    519.53   1.300    391
    506.71   1.268   1000
    357.91   0.896    310
    351.20   0.879    944
    347.29   0.869    131
    344.12   0.862    393

in CDCl3