2,2-Bis(4-aminophenyl)hexafluoropropane(1095-78-9) ¹³C NMR

Product Name2,2-Bis(4-aminophenyl)hexafluoropropane

CAS 1095-78-9

Molecular FormulaC15H12F6N2

Molecular Weight334.26

InChIInChI=1S/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8H,22-23H2

InChIKey BEKFRNOZJSYWKZ-UHFFFAOYSA-N

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

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Mass

MS-IW-1779          
4,4'-(hexafluoroisopropylidene)dianiline
C15H12F6N2          (Mass of molecular ion:    334)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      28.0       1.0
      65.0       1.4
      83.5       2.5
      84.0       1.0
      97.5       4.9
      98.0      13.9
      98.5       2.1
     132.5       9.0
     133.0       1.6
     142.0       1.3
     152.0       1.0
     167.0       3.9
     168.0       2.3
     179.0       1.7
     180.0       4.4
     195.0      14.1
     196.0       7.2
     197.0       1.0
     198.0       2.8
     225.0       1.8
     244.0       1.0
     246.0       1.1
     248.0       1.8
     249.0       1.6
     263.0       1.4
     264.0       7.7
     265.0     100.0
     266.0      15.9
     267.0       1.2
     315.0       3.3
     333.0       3.1
     334.0      73.3
     335.0      12.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₅ H₁₂ F₆ N₂	0.038 g : 0.5 ml DMSO-d₆
4,4'-(hexafluoroisopropylidene)dianiline

    Assign.     Shift(ppm)

      A             6.967
      B             6.573
      C             5.41

     Hz     ppm     Int.

   2789.06   6.979    513
   2780.64   6.958    580
   2769.90   6.931     25
   2769.04   6.929     23
   2768.68   6.928     23
   2768.07   6.927     22
   2631.47   6.585    887
   2622.56   6.563    821
   2613.28   6.539     25
   2612.67   6.538     23
   2612.06   6.536     23
   2610.60   6.533     22
   2161.38   5.409   1000

in DMSO-d6