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770-12-7

二氯磷酸苯酯(770-12-7)质谱(MS)

产品名称:二氯磷酸苯酯

CAS:770-12-7

分子式:C6H5Cl2O2P

分子量: 210.98

InChI:InChI=1S/C6H5Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H

InChIKey: TXFOLHZMICYNRM-UHFFFAOYSA-N

Smiles:P(Cl)(Cl)(OC1=CC=CC=C1)=O

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    Mass

    MS-NW-5120          
    phenyl dichlorophosphate
    C6H5Cl2O2P          (Mass of molecular ion:    210)
    

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

          26.0       1.8
          27.0       5.2
          28.0       2.9
          29.0       8.3
          35.0       1.8
          36.0       6.5
          37.0       3.1
          38.0       9.2
          39.0      37.0
          40.0       1.3
          47.0      12.6
          49.0       1.0
          50.0      12.8
          51.0      17.9
          52.0       1.3
          53.0       2.1
          61.0       1.7
          62.0       3.7
          63.0      11.2
          64.0       6.5
          65.0      61.9
          66.0       3.9
          74.0       3.3
          75.0       4.5
          76.0      30.5
          77.0      35.7
          78.0       2.7
          81.0       3.5
          82.0       1.3
          92.0       5.5
          93.0      21.6
          94.0       3.0
         100.0       2.0
         109.0       5.2
         111.0       1.2
         112.0       3.3
         114.0       1.1
         117.0      10.5
         119.0       6.9
         121.0       1.2
         128.0       2.6
         130.0       1.0
         139.0      26.4
         140.0       4.7
         146.0       1.5
         152.0       2.1
         154.0       2.1
         156.0       1.0
         169.0       1.2
         170.0       1.9
         174.0     100.0
         175.0      18.3
         176.0      33.9
         177.0       6.1
         182.0       2.8
         184.0       1.9
         210.0      97.6
         211.0       7.2
         212.0      62.7
         213.0       4.4
         214.0      10.5
         232.0       1.4
         267.0       1.9
         268.0       4.7
         269.0       1.3
         270.0       1.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H5 Cl2 O2 P 0.04 ml : 0.5 ml CDCl3
    phenyl dichlorophosphate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.36 to 7.31

         Hz     ppm     Int.
    

        665.19   7.428    170
        664.06   7.415    234
        663.31   7.407    198
        662.50   7.398    234
        659.56   7.365   1000
        658.38   7.352    551
        656.75   7.334    758
        654.81   7.312    626
        653.50   7.297    271
        652.69   7.288    280
        651.25   7.272    246
        650.50   7.264    212
        648.69   7.244    199
        647.88   7.235    179
    

in CDCl3

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liquid film

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