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131-11-3

邻苯二甲酸二甲酯(131-11-3)红外图谱(IR1)

分子式:C10H10O4

分子量: 194.18

InChI:InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3

InChIKey: NIQCNGHVCWTJSM-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5550          
    dimethyl phthalate
    C10H10O4            (Mass of molecular ion:    194)
    

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

          15.0       3.4
          28.0       1.4
          29.0       1.2
          38.0       1.1
          39.0       1.3
          50.0       7.2
          51.0       2.6
          52.0       1.2
          63.0       1.3
          64.0       2.1
          66.0       1.3
          74.0       2.3
          75.0       2.5
          76.0       8.4
          77.0      18.3
          78.0       1.4
          79.0       1.4
          92.0       7.3
         104.0       4.7
         105.0       3.1
         120.0       2.1
         133.0       4.4
         135.0       7.5
         163.0     100.0
         164.0      10.2
         165.0       1.1
         194.0       6.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H10 O4 0.04 ml : 0.5 ml CDCl3
    dimethyl phthalate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.73 B 7.53 C 3.905

         Hz     ppm     Int.
    

        697.19   7.785     31
        693.81   7.747     35
        693.44   7.743     28
        691.94   7.726     27
        690.69   7.713     40
        688.13   7.684     71
        687.69   7.679     63
        684.19   7.640     23
        682.19   7.618     23
        678.69   7.579     71
        678.19   7.573     58
        675.63   7.544     33
        674.44   7.531     26
        672.88   7.514     33
        669.38   7.475     31
        349.81   3.906   1000
    

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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