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84-66-2

邻苯二甲酸二乙酯(84-66-2)质谱(MS)

分子式:C12H14O4

分子量: 222.24

InChI:InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

InChIKey: FLKPEMZONWLCSK-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5524          
    diethyl phthalate
    C12H14O4            (Mass of molecular ion:    222)
    

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

          27.0       5.1
          28.0       1.5
          29.0       8.2
          39.0       2.4
          45.0       1.1
          50.0       4.7
          51.0       2.1
          52.0       1.0
          65.0       8.5
          66.0       2.2
          74.0       1.2
          75.0       1.4
          76.0       7.9
          77.0       3.9
          93.0       6.4
         104.0       6.5
         105.0       7.9
         106.0       1.5
         121.0       5.6
         122.0       3.2
         132.0       1.5
         149.0     100.0
         150.0      12.6
         151.0       1.3
         176.0       8.1
         177.0      27.4
         178.0       6.1
         222.0       3.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C12 H14 O4 0.04 ml : 0.5 ml CDCl3
    diethyl phthalate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.71 B 7.53 C 4.363 D 1.366

         Hz     ppm     Int.
    

        696.63   7.779     84
        693.25   7.741    102
        691.38   7.720     69
        690.25   7.708    107
        687.63   7.678    191
        687.19   7.673    155
        683.69   7.634     54
        680.81   7.602     53
        677.19   7.562    191
        674.13   7.528     88
        673.00   7.515     68
        671.38   7.497     95
        667.94   7.459     85
        401.94   4.488    120
        394.69   4.407    422
        387.50   4.327    448
        380.56   4.250    145
        129.31   1.444    463
        122.25   1.366   1000
        115.06   1.285    410
    

in CDCl3

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CCl4 solution

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liquid film

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