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3167-63-3

二甲基(氯甲基)丙烯酯(3167-63-3)Raman光谱

分子式:C5H12ClO3P

分子量: 186.57

InChI:InChI=1S/C5H12ClO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3

InChIKey: MZBIWKMCTWJLPT-UHFFFAOYSA-N

Smiles:P(CCl)(=O)(OCC)OCC

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    Mass

    MS-NW-9952          
    diethyl chloromethylphosphonate
    C5H12ClO3P          (Mass of molecular ion:    186)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       1.9
          18.0       1.4
          26.0       2.2
          27.0      14.7
          28.0       9.7
          29.0      36.4
          30.0       1.0
          31.0       8.1
          36.0       1.0
          41.0       1.1
          42.0       1.0
          43.0       5.3
          44.0       1.1
          45.0      20.4
          47.0       8.1
          48.0       3.8
          49.0      11.4
          51.0       3.6
          65.0      20.2
          77.0       1.7
          78.0       2.4
          81.0      76.8
          83.0       7.8
          85.0       2.4
          91.0      31.7
          92.0       1.1
          93.0      14.5
          95.0       3.1
         109.0     100.0
         110.0       2.5
         112.0       1.4
         113.0      24.9
         114.0       3.4
         115.0       8.5
         116.0       1.0
         130.0       7.0
         131.0      42.4
         132.0       2.9
         133.0      13.7
         137.0      37.5
         138.0       1.8
         141.0      11.8
         142.0       5.9
         143.0       9.6
         144.0       2.0
         145.0       2.0
         157.0       5.6
         158.0       5.9
         159.0      67.7
         160.0       4.3
         161.0      21.5
         171.0       3.2
         173.0       1.0
         186.0       5.1
         187.0       2.5
         188.0       1.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H12 Cl O3 P 0.05 ml : 0.5 ml CDCl3
    diethyl chloromethylphosphonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.221 B 3.367 C 1.379 J(A,P-31)=8.2HZ J(A,C)=7.2HZ J(B,P-31)=10.5HZ J(C,P-31)=0.5HZ

         Hz     ppm     Int.
    

        393.06   4.389    110
        385.88   4.309    346
        384.88   4.298    141
        382.88   4.276     37
        378.81   4.230    399
        377.63   4.217    352
        374.75   4.185     36
        371.81   4.152    180
        370.56   4.138    353
        363.63   4.061    123
        324.81   3.627    562
        314.31   3.510    563
        130.44   1.457    528
        123.44   1.379   1000
        122.94   1.373    922
        116.31   1.299    473
    

in CDCl3

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liquid film

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