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4408-78-0

磷酰基乙酸(4408-78-0)红外图谱(IR1)

产品名称:磷酰基乙酸

CAS:4408-78-0

分子式:C2H5O5P

分子量: 140.03

InChI:InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)

InChIKey: XUYJLQHKOGNDPB-UHFFFAOYSA-N

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

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    Mass

    MS-IW-1025          
    phosphonoacetic acid
    C2H5O5P             (Mass of molecular ion:    140)
    

       Source Temperature: 210 °C
       Sample Temperature: 230 °C
       Direct, 75 eV
    

          14.0       3.5
          15.0       1.5
          16.0       2.3
          17.0      13.5
          18.0      72.8
          19.0       1.2
          28.0      10.6
          29.0       2.0
          31.0       5.7
          32.0       1.1
          41.0       4.2
          42.0      35.8
          43.0       8.1
          44.0     100.0
          45.0       6.4
          47.0       7.7
          48.0       4.0
          55.0       1.0
          57.0       1.2
          60.0      26.0
          63.0       3.7
          64.0       1.1
          65.0       6.1
          78.0      15.5
          79.0       2.4
          80.0       1.3
          81.0      43.1
          82.0       1.3
          95.0       1.0
          96.0      25.4
          98.0       2.9
          99.0       7.0
         105.0       5.1
         122.0       2.3
         123.0       3.4
    

400 MHz in D2O

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    1H NMR 399.65 MHz
    C2 H5 O5 P 0.040 g : 0.5 ml D2O
    phosphonoacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.001 THE SOLVENT SIGNAL REMOVED

         Hz     ppm     Int.
    

       1210.08   3.028   1000
       1192.02   2.983     31
       1188.72   2.975    994
    

in D2O

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KBr disc

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nujol mull

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