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131-18-0

邻苯二甲酸二戊酯(131-18-0)红外图谱(IR1)

分子式:C18H26O4

分子量: 306.4

InChI:InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3

InChIKey: IPKKHRVROFYTEK-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5349          
    dipentyl phthalate
    C18H26O4            (Mass of molecular ion:    306)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       3.9
          28.0       1.2
          29.0       7.1
          39.0       2.4
          41.0       8.8
          42.0       5.8
          43.0      18.9
          50.0       1.6
          55.0       5.2
          65.0       2.9
          69.0       1.2
          70.0       3.7
          71.0       4.2
          76.0       4.3
          77.0       1.3
          93.0       2.3
         104.0       4.0
         105.0       2.3
         121.0       1.9
         122.0       1.7
         123.0       1.2
         149.0     100.0
         150.0       9.6
         151.0       1.1
         167.0       1.0
         219.0       2.9
         237.0       6.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C18 H26 O4 0.04 ml : 0.5 ml CDCl3
    dipentyl phthalate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.70 B 7.53 C 4.292 D 1.74 E 1.38 F 0.93

         Hz     ppm     Int.
    

        696.25   7.775    198
        692.88   7.737    244
        691.00   7.716    175
        689.81   7.703    276
        687.25   7.674    448
        686.81   7.669    410
        683.25   7.629    139
        680.81   7.602    145
        677.25   7.562    440
        676.81   7.558    379
        674.25   7.529    219
        673.06   7.516    174
        671.50   7.498    226
        668.00   7.459    204
        391.50   4.372    399
        384.94   4.299   1000
        378.31   4.225    558
        162.56   1.816    138
        160.06   1.788     95
        157.75   1.762    105
        155.56   1.737    224
        153.50   1.714    131
        153.06   1.710    130
        151.13   1.688    115
        149.56   1.670    177
        144.50   1.614     68
        143.13   1.599     93
        142.06   1.587     72
        141.06   1.576     75
        137.69   1.538     78
        132.69   1.482    175
        131.44   1.468    136
        129.50   1.446    284
        128.50   1.435    326
        125.56   1.402    394
        124.69   1.393    322
        121.38   1.356    400
        119.13   1.331    273
        117.75   1.315    283
        116.06   1.296    141
        114.75   1.282    159
        112.63   1.258     86
        112.19   1.253     84
         88.69   0.991    298
         86.19   0.963    189
         85.50   0.955    195
         84.69   0.946    210
         82.19   0.918    822
         79.31   0.886    147
         78.63   0.878    133
         77.38   0.865    156
         76.13   0.851    173
         74.88   0.837    121
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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