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76-37-9

四氟丙醇(76-37-9)Raman光譜

產(chǎn)品名稱:四氟丙醇

CAS:76-37-9

分子式:C3H4F4O

分子量: 132.06

InChI:InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2

InChIKey: NBUKAOOFKZFCGD-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-4908          
2,2,3,3-tetrafluoro-1-propanol
C3H4F4O             (Mass of molecular ion:    132)


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


          18.0       1.7
      28.0       2.5
      29.0      18.6
      30.0       1.5
      31.0     100.0
      32.0       2.5
      33.0       8.3
      43.0       1.2
      44.0       1.2
      45.0       3.1
      49.0       7.0
      51.0      18.8
      61.0       3.8
      63.0       1.4
      64.0       3.1
      65.0       6.2
      81.0       1.2
      82.0      26.7
      83.0       1.8
     112.0       8.5

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C3 H4 F4 O 0.04 ml : 0.5 ml CDCl3
    2,2,3,3-tetrafluoro-1-propanol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             5.928
      B             3.976
      C             2.59
     
     J2(A,F-19)=53.2HZ
     J3(A,F-19)=4.3HZ
     J3(B,F-19)=13.5HZ
     J4(B,F-19)=1.6HZ
  

         Hz     ppm     Int.


        588.31   6.569    128
    584.06   6.522    252
    579.88   6.475    124
    535.13   5.976    256
    530.88   5.928    523
    526.63   5.881    262
    481.94   5.382    122
    477.69   5.334    254
    473.44   5.287    126
    370.88   4.142    218
    369.25   4.123    392
    367.69   4.106    220
    357.69   3.994    429
    356.13   3.977    773
    354.50   3.959    428
    344.56   3.848    223
    342.94   3.830    388
    341.38   3.812    218
    232.00   2.591   1000

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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