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返回ChemicalBook首页>CAS数据库列表>867-13-0更多图谱> 磷酰基乙酸三乙酯(867-13-0)核磁图(1HNMR)

867-13-0

磷酰基乙酸三乙酯(867-13-0)核磁图(1HNMR)

分子式:C8H17O5P

分子量: 224.19

InChI:InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3

InChIKey: GGUBFICZYGKNTD-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CP(OCC)(OCC)=O

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    Mass

    MS-NW-4979          
    ethyl (diethylphosphono)acetate
    C8H17O5P            (Mass of molecular ion:    224)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       2.0
          15.0       6.3
          18.0       2.3
          19.0       1.6
          26.0       6.4
          27.0      27.8
          28.0      13.2
          29.0      51.7
          30.0       1.2
          31.0      15.8
          41.0       2.0
          42.0      27.9
          43.0      17.1
          44.0       2.2
          45.0      18.4
          46.0       1.2
          47.0       6.0
          48.0       2.4
          49.0       1.3
          54.0       1.1
          55.0       1.7
          59.0       4.3
          60.0      10.4
          61.0       8.2
          65.0      17.9
          70.0       6.2
          73.0       1.2
          78.0       8.6
          79.0       3.6
          80.0       7.2
          81.0      34.0
          82.0       2.5
          83.0       1.1
          88.0      52.6
          89.0       2.8
          91.0       8.2
          93.0       5.7
          95.0       4.1
          96.0      11.3
          97.0      19.1
          99.0      12.5
         105.0      14.8
         106.0       7.4
         107.0       1.9
         108.0       7.0
         109.0      53.7
         110.0       2.0
         111.0       1.5
         121.0       2.1
         122.0      12.3
         123.0     100.0
         124.0       6.9
         125.0      22.1
         126.0       1.3
         127.0       7.5
         134.0       1.3
         135.0       1.1
         137.0      18.4
         138.0       1.8
         141.0       8.9
         149.0       2.3
         150.0       3.0
         151.0      68.8
         152.0      45.5
         153.0       3.5
         154.0       1.3
         155.0       5.7
         169.0      30.9
         170.0       1.5
         179.0      73.9
         180.0      14.2
         181.0       1.6
         197.0      81.3
         198.0       6.1
         199.0       1.2
         224.0       5.7
         225.0       1.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H17 O5 P 0.05 ml : 0.5 ml CDCl3
    ethyl (diethylphosphono)acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.19 B 2.972 C 1.356 D 1.295

         Hz     ppm     Int.
    

       1692.50   4.235    112
       1692.02   4.234    113
       1690.19   4.230     44
       1687.13   4.222    127
       1685.30   4.217    307
       1684.81   4.216    303
       1680.05   4.204    290
       1679.08   4.202    352
       1678.10   4.199    406
       1674.68   4.191     67
       1672.97   4.187    296
       1671.88   4.184    407
       1671.02   4.182    422
       1665.77   4.169    137
       1664.55   4.166    329
       1663.94   4.164    328
       1660.89   4.156     41
       1657.47   4.148    118
       1656.98   4.147    120
       1198.85   3.000    522
       1177.37   2.947    531
        556.76   1.394     32
        549.56   1.376    569
        549.07   1.374    562
        542.48   1.358    928
        541.87   1.356   1000
        535.40   1.340    567
        534.91   1.339    592
        530.40   1.328     40
        528.56   1.323     49
        524.90   1.314    460
        521.61   1.306     46
        517.70   1.296    829
        513.43   1.285     39
        510.50   1.278    459
    

in CDCl3

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CCl4 solution

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liquid film

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