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二氟乙酸(381-73-7)核磁图(13CNMR)

产品名称:二氟乙酸

CAS:381-73-7

分子式:C2H2F2O2

分子量: 96.03

InChI:InChI=1S/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey: PBWZKZYHONABLN-UHFFFAOYSA-N

Smiles:C(O)(=O)C(F)F


  • Mass

    MS-NW-4840          
    difluoroacetic acid
    C2H2F2O2            (Mass of molecular ion:     96)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          12.0       1.1
          13.0       1.9
          17.0       7.3
          18.0      29.0
          20.0       1.2
          28.0       9.8
          29.0      13.3
          31.0       9.4
          32.0      20.7
          33.0       3.7
          43.0       1.7
          44.0       6.3
          45.0      87.2
          46.0       2.0
          47.0       1.8
          48.0       3.4
          49.0      14.4
          50.0       5.3
          51.0     100.0
          52.0       9.7
          60.0       2.9
          67.0      16.9
          76.0      15.4
          77.0       2.0
          78.0       1.2
          79.0      10.1
          96.0      17.1
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C2 H2 F2 O2 0.04 ml : 0.5 ml CDCl3
    difluoroacetic acid
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 9.40 D(B) 5.979 J(B,F-19) 52.9

         Hz     ppm     Int.
    

       2819.40   9.398   1000
       1846.60   6.155    250
       1793.68   5.979    500
       1740.80   5.803    250
    

in CDCl3



liquid film



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