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85-68-7

邻苯二甲酸丁苄酯(85-68-7)红外图谱(IR2)

分子式:C19H20O4

分子量: 312.36

InChI:InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3

InChIKey: IRIAEXORFWYRCZ-UHFFFAOYSA-N

Smiles:C1(C(OCCCC)=O)=CC=CC=C1C(OCC1=CC=CC=C1)=O

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    Mass

    MS-NW-8510          
    benzyl butyl phthalate
    C19H20O4            (Mass of molecular ion:    312)
    

       Source Temperature: 270 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          18.0       4.7
          27.0       1.9
          28.0       1.5
          29.0       8.4
          39.0       2.4
          41.0       8.3
          43.0       1.1
          50.0       1.7
          51.0       1.4
          55.0       1.9
          56.0       5.8
          57.0       6.2
          65.0       5.7
          76.0       4.1
          77.0       3.4
          79.0       1.5
          91.0      26.5
          92.0       3.0
          93.0       2.5
         104.0       7.2
         105.0       6.0
         106.0       1.4
         107.0       2.2
         121.0       2.2
         122.0       4.1
         123.0       5.8
         132.0       5.4
         133.0       1.0
         135.0       3.4
         136.0       1.2
         149.0     100.0
         150.0      10.1
         151.0       1.1
         178.0       1.8
         205.0       4.0
         206.0       9.6
         207.0       1.3
         223.0       2.6
         238.0       1.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C19 H20 O4 0.05 ml : 0.5 ml CDCl3
    benzyl butyl phthalate
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 7.73 B *1 7.70 C *2 7.50 D *2 7.48 E 7.410 F 7.360 G 7.322 J 5.336 K 4.186 L 1.627 M 1.376 N 0.919

         Hz     ppm     Int.
    

       3095.34   7.746    147
       3094.97   7.745    157
       3093.14   7.740    136
       3090.70   7.734    156
       3089.97   7.732    141
       3088.75   7.729    136
       3086.43   7.723    192
       3085.94   7.722    188
       3082.76   7.714    159
       3082.28   7.713    179
       3079.96   7.707    130
       3078.74   7.704    133
       3077.76   7.702    148
       3075.44   7.696    153
       3073.73   7.692    183
       3073.24   7.690    172
       3005.37   7.521     82
       3000.12   7.507    285
       2998.90   7.504    292
       2997.80   7.502    242
       2995.00   7.495    384
       2992.19   7.488    217
       2990.97   7.484    241
       2989.99   7.482    231
       2984.74   7.469     58
       2968.38   7.428    164
       2966.55   7.423    194
       2964.60   7.418     94
       2960.21   7.408    336
       2959.23   7.405    302
       2958.74   7.404    316
       2956.42   7.398     67
       2949.83   7.382    165
       2948.36   7.378    155
       2947.75   7.376    151
       2946.04   7.372     87
       2943.36   7.365    101
       2942.14   7.362    279
       2941.28   7.360    416
       2939.70   7.356    163
       2935.42   7.345    138
       2933.96   7.342    219
       2931.64   7.336    160
       2930.05   7.332    209
       2928.34   7.328    117
       2926.03   7.322     69
       2923.10   7.315    160
       2132.69   5.337    871
       1679.93   4.204    331
       1673.10   4.187    645
       1666.38   4.170    334
        664.67   1.664     66
        657.59   1.646    175
        655.03   1.640     69
        651.61   1.631    173
        650.63   1.628    216
        648.32   1.623    127
        644.90   1.614     82
        642.82   1.609    185
        636.11   1.592     81
        561.28   1.405    144
        555.54   1.391     93
        553.59   1.386    204
        548.22   1.372     95
        546.02   1.367    212
        538.70   1.348    136
        374.76   0.938    521
        367.31   0.920   1000
        359.99   0.901    442
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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