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4708-04-7

1-丙基二氯化磷(4708-04-7)质谱(MS)

产品名称:1-丙基二氯化磷

CAS:4708-04-7

分子式:C3H7Cl2OP

分子量: 160.97

InChI:InChI=1S/C3H7Cl2OP/c1-2-3-7(4,5)6/h2-3H2,1H3

InChIKey: CWMQAFZROJAZQS-UHFFFAOYSA-N

Smiles:C(P(Cl)(Cl)=O)CC

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    Mass

    MS-NW-7768          
    propylphosphonic dichloride
    C3H7Cl2OP           (Mass of molecular ion:    160)
    

       Source Temperature: 250 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       6.0
          18.0       1.1
          26.0       5.9
          27.0      49.7
          28.0       8.5
          29.0       6.0
          31.0       1.0
          35.0       1.7
          36.0       2.2
          37.0       2.2
          38.0       5.0
          39.0      35.5
          40.0       7.1
          41.0      70.8
          42.0      59.7
          43.0      83.6
          44.0       2.8
          45.0       1.8
          47.0      27.3
          48.0       1.6
          49.0       2.0
          56.0       1.0
          57.0       1.2
          61.0       1.3
          63.0       2.8
          65.0       1.0
          66.0       3.0
          67.0       1.0
          68.0       1.4
          82.0       2.1
          83.0       8.1
          85.0       3.1
          96.0       4.0
          97.0       9.9
          98.0       1.5
          99.0       3.3
         101.0       3.1
         103.0       2.1
         109.0       2.9
         111.0       1.0
         117.0       7.1
         118.0      16.3
         119.0       8.8
         120.0      10.8
         121.0       3.9
         122.0       1.9
         125.0       7.2
         127.0       2.6
         132.0     100.0
         133.0       1.4
         134.0      65.0
         135.0       1.0
         136.0      10.8
         145.0       2.3
         147.0       1.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C3 H7 Cl2 O P 0.05 ml : 0.5 ml CDCl3
    propylphosphonic dichloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.594 B 1.905 C 1.145

         Hz     ppm     Int.
    

       1052.49   2.634    326
       1047.85   2.622     95
       1046.63   2.619    167
       1044.68   2.614    280
       1042.48   2.609    147
       1041.26   2.606    127
       1037.84   2.597    355
       1036.74   2.595    407
       1033.08   2.585     94
       1031.86   2.582    164
       1030.03   2.578    276
       1027.83   2.572    139
       1026.49   2.569    117
       1022.09   2.558    354
       1020.26   2.553     92
        779.05   1.950    160
        771.48   1.931    204
        769.04   1.925    112
        763.31   1.910    225
        761.47   1.906    210
        755.74   1.892    210
        753.91   1.887    219
        748.41   1.873    120
        745.73   1.866    212
        738.28   1.848    155
        466.31   1.167    547
        463.99   1.161    547
        458.98   1.149    971
        456.54   1.143   1000
        451.54   1.130    528
        449.10   1.124    524
    

in CDCl3

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liquid film (CONTAINS ca 5% ISOPROPYL ISOMER)

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4880 A,200 M,liquid

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