1HNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 1HNMR)" />

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454-31-9

二氟乙酸乙酯(454-31-9)核磁圖(1HNMR)

產(chǎn)品名稱:二氟乙酸乙酯

CAS:454-31-9

分子式:C4H6F2O2

分子量: 124.09

InChI:InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

InChIKey: GZKHDVAKKLTJPO-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-IW-9086          
ethyl difluoroacetate
C4H6F2O2            (Mass of molecular ion:    124)


       Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          15.0       1.3
      17.0       1.1
      18.0       5.3
      26.0       2.5
      27.0      21.5
      28.0      15.2
      29.0     100.0
      30.0       2.5
      31.0       5.3
      32.0       2.6
      43.0       2.7
      44.0       2.5
      45.0      17.7
      49.0       1.0
      50.0       1.0
      51.0      38.5
      52.0       1.0
      60.0       1.5
      67.0       1.4
      73.0       1.6
      76.0       1.2
      77.0       1.9
      79.0       1.6
      81.0      16.8
      95.0       2.2
      96.0       1.3
      97.0       1.2

parameter in DMSO-d6

  • 圖譜

    1H NMR 300 MHz
    C4 H6 F2 O2 0.05 ml : 0.5 ml DMSO-d6
    ethyl difluoroacetate
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         6.419
       J(A,F-19)       52.5
     
      D(B)         4.298
      D(C)         1.275
       J(B,C)          7.1
  

         Hz     ppm     Int.


       1978.18   6.594    166
   1925.71   6.419    332
   1873.19   6.244    166
   1300.08   4.334    164
   1293.01   4.310    494
   1285.93   4.286    500
   1278.85   4.263    171
    389.59   1.299    509
    382.51   1.275   1000
    375.43   1.251    493

in DMSO-d6

  • 圖譜

liquid film

  • 圖譜

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