ALPHA,ALPHA'-DIANILINO-P-XYLENE(13170-62-2) IR1

Product NameALPHA,ALPHA'-DIANILINO-P-XYLENE

CAS 13170-62-2

Molecular FormulaC20H20N2

Molecular Weight288.39

InChIInChI=1S/C20H20N2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h1-14,21-22H,15-16H2

InChIKey DXWQPWMYKQYRDS-UHFFFAOYSA-N

SmilesC1(=CC=C(CNC2C=CC=CC=2)C=C1)CNC1=CC=CC=C1

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Mass

MS-IW-4053          
N,N'-(p-phenylenedimethylene)dianiline
C20H20N2            (Mass of molecular ion:    288)

   Source Temperature: 180 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      28.0       1.0
      39.0       2.3
      51.0       4.1
      52.0       1.0
      63.0       1.2
      65.0       7.6
      66.0       3.4
      77.0      25.3
      78.0       6.3
      79.0       5.6
      89.0       3.3
      90.0       3.2
      91.0      20.6
      92.0       7.4
      93.0      12.8
      94.0       2.2
     103.0       5.4
     104.0      48.8
     105.0      12.6
     106.0       7.4
     117.0       1.6
     118.0       4.0
     119.0       1.9
     130.0       1.0
     143.0       1.9
     143.5       3.2
     144.0       9.7
     144.5       2.1
     152.0       1.0
     156.0       1.2
     165.0       1.1
     167.0       2.3
     168.0       1.2
     178.0       1.3
     179.0       2.5
     180.0       5.6
     181.0       7.9
     182.0       6.3
     183.0       2.3
     193.0       2.1
     194.0      21.5
     195.0      27.6
     196.0     100.0
     197.0      19.1
     198.0       1.7
     283.0       1.5
     284.0       2.7
     285.0       1.3
     286.0       6.2
     287.0       7.2
     288.0      83.4
     289.0      18.7
     290.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₀ H₂₀ N₂	0.030 g : 0.5 ml CDCl₃
N,N'-(p-phenylenedimethylene)dianiline

    Assign.     Shift(ppm)

      A             7.323
      B             7.159
      C             6.706
      D             6.610
      E             4.290
      F             3.98

     Hz     ppm     Int.

   2926.64   7.324   1000
   2869.63   7.181    187
   2868.77   7.179     81
   2867.55   7.176     65
   2864.50   7.168     41
   2862.30   7.163    252
   2860.96   7.159    252
   2858.89   7.154     41
   2855.59   7.146     74
   2854.49   7.143     94
   2853.64   7.141    223
   2851.44   7.135     34
   2688.23   6.727     47
   2687.13   6.724     83
   2686.16   6.722     52
   2680.79   6.708     82
   2679.81   6.706    150
   2678.83   6.703     87
   2673.58   6.690     43
   2672.49   6.688     73
   2671.51   6.685     45
   2646.97   6.624    203
   2645.87   6.621    238
   2643.92   6.616     72
   2639.28   6.604    130
   2638.31   6.602    225
   2637.33   6.600    189
   2635.01   6.594     32
   1714.60   4.291    301
   1593.02   3.987     37

in CDCl3

KBr disc

nujol mull

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