116325-74-7

2,2-双(3-氨基-4-甲苯基)六氟丙烷(116325-74-7)核磁图(¹HNMR)

产品名称:2,2-双(3-氨基-4-甲苯基)六氟丙烷

CAS:116325-74-7

分子式:C17H16F6N2

分子量: 362.31

InChI:InChI=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

Smiles:C(C1C=CC(C)=C(N)C=1)(C1C=CC(C)=C(N)C=1)(C(F)(F)F)C(F)(F)F

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