2,2-BIS(3-AMINO-4-METHYLPHENYL)HEXAFLUOROPROPANE(116325-74-7) ¹³C NMR

Product Name2,2-BIS(3-AMINO-4-METHYLPHENYL)HEXAFLUOROPROPANE

CAS 116325-74-7

Molecular FormulaC17H16F6N2

Molecular Weight362.31

InChIInChI=1S/C17H16F6N2/c1-9-3-5-11(7-13(9)24)15(16(18,19)20,17(21,22)23)12-6-4-10(2)14(25)8-12/h3-8H,24-25H2,1-2H3

InChIKey HJSYPLCSZPEDCQ-UHFFFAOYSA-N

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

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Mass

MS-IW-1777          
5,5'-(hexafluoroisopropylidene)bis(o-toluidine)
C17H16F6N2          (Mass of molecular ion:    362)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      77.0       1.1
     104.0       4.3
     104.5       5.1
     111.0       1.0
     112.0       2.0
     129.0       1.2
     131.5       2.3
     138.5       1.7
     139.0       7.5
     139.5       1.2
     146.5       1.0
     166.0       2.7
     173.0       1.0
     173.5       1.8
     180.0       1.3
     181.0       5.0
     207.0       1.9
     208.0       2.7
     209.0       7.2
     210.0       1.3
     211.0       1.1
     223.0       2.3
     224.0       1.3
     258.0       1.2
     263.0       1.9
     275.0       1.8
     276.0       5.4
     277.0       6.5
     278.0      26.9
     279.0       4.6
     291.0       1.5
     292.0       1.8
     293.0      12.1
     294.0       2.2
     323.0       2.2
     331.0       1.3
     332.0       4.8
     333.0       1.0
     344.0       1.1
     345.0       2.6
     346.0       9.9
     347.0       7.3
     348.0       1.2
     361.0       9.9
     362.0     100.0
     363.0      19.3
     364.0       1.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₇ H₁₆ F₆ N₂	0.032 g : 0.5 ml DMSO-d₆
5,5'-(hexafluoroisopropylidene)bis(o-toluidine)

    Assign.     Shift(ppm)

      A             6.956
      B             6.616
      C             6.465
      D             5.01
      E             2.046

     Hz     ppm     Int.

   2783.94   6.966    172
   2775.51   6.945    185
   2644.04   6.616    189
   2587.65   6.475     98
   2579.83   6.456     92
   2001.10   5.008    377
    817.87   2.047   1000
    808.35   2.023     22
    807.37   2.021     22
    807.13   2.020     22

in DMSO-d6