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84-77-5

邻苯二甲酸二癸酯(84-77-5)核磁图(13CNMR)

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

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    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

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

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liquid film

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