3491-12-1

1,4-雙(4-氨基苯氧基)苯(3491-12-1)質(zhì)譜(MS)

產(chǎn)品名稱:1,4-雙(4-氨基苯氧基)苯

CAS:3491-12-1

分子式:C18H16N2O2

分子量: 292.33

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

InChIKey: JCRRFJIVUPSNTA-UHFFFAOYSA-N

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

Mass

MS-NW-8010          
p,p'-(p-phenylenedioxy)dianiline
C18H16N2O2          (Mass of molecular ion:    292)

   Source Temperature: 180 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       1.2
      28.0       1.8
      39.0       5.0
      41.0       1.0
      50.0       1.6
      51.0       1.1
      52.0       1.8
      53.0       3.3
      54.0       1.2
      63.0       1.8
      64.0       1.4
      65.0      14.5
      66.0       2.0
      76.0       1.7
      77.0       1.0
      80.0       8.5
      92.0       5.6
      93.0       2.1
     108.0      38.7
     109.0       4.0
     120.0       1.0
     127.0       1.2
     128.0       1.7
     129.0       1.3
     130.0       1.8
     144.0       1.0
     146.0       9.7
     154.0       1.4
     155.0       1.0
     156.0       6.3
     157.0       1.1
     172.0       1.5
     183.0       1.0
     184.0       3.2
     185.0       2.1
     200.0       1.1
     263.0       3.0
     264.0       1.0
     291.0       2.5
     292.0     100.0
     293.0      20.4
     294.0       2.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₈ H₁₆ N₂ O₂	0.044 g : 0.5 ml DMSO-d₆
p,p'-(p-phenylenedioxy)dianiline

    Assign.     Shift(ppm)

      A             6.830
      B             6.739
      C             6.586
      D             4.93

     Hz     ppm     Int.

   2729.61   6.831   1000
   2701.78   6.761     29
   2698.49   6.753    296
   2696.17   6.747    115
   2691.77   6.736    116
   2689.58   6.730    408
   2686.16   6.722     49
   2639.77   6.606     46
   2636.35   6.597    392
   2634.16   6.592    131
   2629.76   6.581    106
   2627.44   6.575    314
   2624.15   6.567     34
   1970.46   4.931    301

in DMSO-d6