2,2-BIS[4-(4-AMINOPHENOXY)PHENYL]HEXAFLUOROPROPANE(69563-88-8) ¹H NMR

Product Name2,2-BIS[4-(4-AMINOPHENOXY)PHENYL]HEXAFLUOROPROPANE

Molecular FormulaC27H20F6N2O2

Molecular Weight518.45

InChIInChI=1S/C27H20F6N2O2/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24/h1-16H,34-35H2

InChIKey HHLMWQDRYZAENA-UHFFFAOYSA-N

SmilesC(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)(C(F)(F)F)C(F)(F)F

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Mass

MS-IW-1756          
2,2-bis(p-(p-aminophenoxy)phenyl)-1,1,1,3,3,3-hexafluoropropane
C27H20F6N2O2        (Mass of molecular ion:    518)

   Source Temperature: 170 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      65.0       5.4
      80.0       3.5
      92.0       2.6
      93.0       5.3
     108.0      25.2
     109.0       2.5
     182.0       1.8
     183.0       1.7
     224.5       2.4
     259.0      13.0
     272.0       1.3
     341.0       1.2
     357.0       2.2
     449.0      15.2
     450.0       4.5
     499.0       1.2
     500.0       1.1
     518.0     100.0
     519.0      30.3
     520.0       4.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₇ H₂₀ F₆ N₂ O₂	0.033 g : 0.5 ml DMSO-d₆
2,2-bis(p-(p-aminophenoxy)phenyl)-1,1,1,3,3,3-hexafluoropropane

    Assign.     Shift(ppm)

      A             7.260
      B             6.924
      C             6.822
      D             6.625
      E             5.06

     Hz     ppm     Int.

   2906.37   7.273    350
   2897.58   7.251    409
   2775.02   6.944     94
   2771.73   6.936    845
   2769.53   6.930    237
   2764.77   6.918    229
   2762.57   6.913    778
   2759.28   6.905     73
   2734.99   6.844     78
   2731.57   6.835    785
   2729.37   6.830    248
   2724.98   6.819    286
   2722.78   6.813   1000
   2719.36   6.805    101
   2655.15   6.644    113
   2651.73   6.636    993
   2649.54   6.630    281
   2645.14   6.619    269
   2642.82   6.613    813
   2639.53   6.605     78
   2022.95   5.062    744

in DMSO-d6