1,3-BIS(2-HYDROXYHEXAFLUOROISOPROPYL)BENZENE(802-93-7) IR1

Product Name1,3-BIS(2-HYDROXYHEXAFLUOROISOPROPYL)BENZENE

CAS 802-93-7

Molecular FormulaC12H6F12O2

Molecular Weight410.16

InChIInChI=1S/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-2-1-3-6(4-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H

InChIKey PGUIOHNOYADLMU-UHFFFAOYSA-N

SmilesC(O)(C(F)(F)F)(C(F)(F)F)C1C=CC=C(C(O)(C(F)(F)F)C(F)(F)F)C=1

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¹HNMR

IR1

1,3-BIS(2-HYDROXYHEXAFLUOROISOPROPYL)BENZENE(802-93-7) IR1
Mass

MS-IW-2190          
2,2'-(m-phenylene)bis(1,1,1,3,3,3-hexafluoro-2-propanol)
C12H6F12O2          (Mass of molecular ion:    410)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      28.0       1.6
      50.0       2.6
      51.0       3.1
      52.0       2.2
      66.0      16.1
      66.5       1.5
      69.0      33.2
      75.0       2.6
      76.0       4.0
      77.0       7.1
      78.0       1.5
      91.0       2.5
      91.5       1.1
      95.0       1.7
      97.0       7.2
     101.0       3.1
     102.0       1.9
     104.0       2.4
     105.0      14.1
     106.0       1.5
     107.0       1.2
     119.0       1.1
     123.0       3.6
     125.0       1.2
     126.0       1.3
     127.0       7.7
     136.0       1.3
     137.0       1.9
     138.0       1.2
     139.0       1.0
     145.0       7.7
     147.0       2.6
     154.0       2.2
     156.0       1.2
     157.0       2.8
     173.0       2.8
     174.0       1.8
     175.0       4.8
     177.0       2.9
     185.0       2.0
     187.0       1.2
     195.0       4.0
     201.0       3.5
     205.0       5.3
     207.0       5.2
     223.0       7.9
     225.0       1.0
     227.0       5.0
     235.0       1.3
     243.0       2.9
     253.0       1.7
     254.0       2.8
     271.0     100.0
     272.0      11.6
     273.0       2.5
     275.0       1.9
     293.0       2.2
     323.0       7.1
     324.0       1.2
     341.0      94.1
     342.0      11.5
     343.0       1.6
     353.0      10.9
     354.0       1.4
     371.0       3.0
     373.0       7.7
     374.0       1.1
     410.0      15.5
     411.0       2.1

400 MHz in CDCl3

1,3-BIS(2-HYDROXYHEXAFLUOROISOPROPYL)BENZENE(802-93-7) IR1

¹H NMR	399.65 MHz
C₁₂ H₆ F₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
2,2'-(m-phenylene)bis(1,1,1,3,3,3-hexafluoro-2-propanol)

    Assign.     Shift(ppm)

      A             8.168
      B             7.849
      C             7.550
      D             3.72

     Hz     ppm     Int.

   3264.28   8.168    376
   3141.85   7.862    397
   3140.87   7.860    398
   3132.69   7.839    465
   3025.02   7.570    306
   3024.54   7.568    348
   3020.75   7.559     24
   3016.72   7.549    529
   3012.82   7.539     28
   3008.91   7.529    241
   3008.42   7.528    276
   1485.11   3.717   1000

liquid film