2479-46-1

1,3-双(4'-氨基苯氧基)苯(2479-46-1)核磁图(¹³CNMR)

产品名称:1,3-双(4'-氨基苯氧基)苯

CAS:2479-46-1

分子式:C18H16N2O2

分子量: 292.33

InChI:InChI=1S/C18H16N2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H,19-20H2

InChIKey: WUPRYUDHUFLKFL-UHFFFAOYSA-N

Smiles:C1(OC2=CC=C(N)C=C2)=CC=CC(OC2=CC=C(N)C=C2)=C1

Mass

MS-IW-6661          
4,4'-(m-phenylenedioxy)dianiline
C18H16N2O2          (Mass of molecular ion:    292)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      65.0       2.8
      76.0       1.1
      80.0       3.3
      93.0       1.7
     108.0      24.7
     109.0       3.6
     120.0       3.3
     128.0       1.1
     146.0       8.9
     146.5       1.8
     154.0       1.8
     155.0       1.3
     156.0       7.6
     157.0       1.1
     183.0       1.4
     184.0       2.5
     185.0       1.7
     291.0       1.0
     292.0     100.0
     293.0      20.6
     294.0       2.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₈ H₁₆ N₂ O₂	0.041 g : 0.5 ml DMSO-d₆
4,4'-(m-phenylenedioxy)dianiline

    Assign.     Shift(ppm)

      A             7.175
      B             6.770
      C             6.597
      D             6.462
      E             6.359
      F             5.0

     Hz     ppm     Int.

   2876.10   7.197    151
   2867.92   7.177    306
   2859.74   7.156    175
   2714.11   6.792     72
   2710.69   6.783    781
   2708.50   6.778    259
   2704.10   6.767    288
   2701.90   6.761   1000
   2698.49   6.753    116
   2643.92   6.616    106
   2640.63   6.608    975
   2638.31   6.602    288
   2633.91   6.591    263
   2631.71   6.586    792
   2628.30   6.577     86
   2588.01   6.476    375
   2585.69   6.470    395
   2579.83   6.456    345
   2577.51   6.450    408
   2543.58   6.365    201
   2541.26   6.359    332
   2538.94   6.353    162
   1995.61   4.994    706

in DMSO-d6