2-Pentafluorophenoxyethanol(2192-55-4) IR1

Product Name2-Pentafluorophenoxyethanol

CAS 2192-55-4

Molecular FormulaC8H5F5O2

Molecular Weight228.12

InChIInChI=1S/C8H5F5O2/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h14H,1-2H2

InChIKey NPVVUYMVRISVGK-UHFFFAOYSA-N

SmilesC(O)COC1=C(F)C(F)=C(F)C(F)=C1F

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¹HNMR

IR1

Mass

MS-IW-7451          
2-(pentafluorophenoxy)ethanol
C8H5F5O2            (Mass of molecular ion:    228)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.7
      19.0       4.0
      27.0       6.9
      28.0       1.6
      29.0       5.3
      31.0       9.1
      42.0       1.0
      43.0       7.9
      44.0       4.0
      45.0      42.7
      69.0       3.9
      74.0       1.0
      86.0       1.9
      93.0       3.4
      98.0       1.6
      99.0       1.2
     105.0       2.4
     117.0      12.5
     119.0       2.1
     136.0      21.9
     137.0       3.1
     155.0       6.8
     164.0       2.2
     165.0       1.1
     167.0       5.7
     168.0       1.2
     169.0       1.4
     183.0       5.2
     184.0     100.0
     185.0       6.6
     197.0       3.7
     211.0       1.3
     228.0       8.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₅ F₅ O₂	0.05 ml : 0.5 ml CDCl₃
2-(pentafluorophenoxy)ethanol

    Assign.     Shift(ppm)

      A             4.293
      B             3.945
      C             2.86

     Hz     ppm     Int.

   1720.09   4.304    721
   1719.36   4.303    563
   1716.43   4.295    771
   1715.58   4.293   1000
   1711.18   4.282    884
   1581.42   3.958    757
   1576.78   3.946    922
   1572.51   3.935    732
   1145.63   2.867    142

liquid film