Tetrafluoro-1-propanol(76-37-9) IR2

Product NameTetrafluoro-1-propanol

CAS 76-37-9

Molecular FormulaC3H4F4O

Molecular Weight132.06

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

InChIKey NBUKAOOFKZFCGD-UHFFFAOYSA-N

SmilesC(O)C(F)(F)C(F)F

Request For Quotation

Tetrafluoro-1-propanol(76-37-9) IR2
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

Tetrafluoro-1-propanol(76-37-9) IR2

¹H NMR	89.56 MHz
C₃ H₄ F₄ O	0.04 ml : 0.5 ml CDCl₃
2,2,3,3-tetrafluoro-1-propanol

    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