6264-66-0

3,4,4'-三氨基二苯醚(6264-66-0)質(zhì)譜(MS)

產(chǎn)品名稱:3,4,4'-三氨基二苯醚

CAS:6264-66-0

分子式:C12H13N3O

分子量: 215.25

InChI:InChI=1S/C12H13N3O/c13-8-1-3-9(4-2-8)16-10-5-6-11(14)12(15)7-10/h1-7H,13-15H2

InChIKey: MPKIJEUTPZPJFP-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(OC2=CC=C(N)C=C2)C=C1N

Mass

MS-IW-7600          
4-(4-aminophenoxy)-o-phenylenediamine
C12H13N3O           (Mass of molecular ion:    215)

   Source Temperature: 170 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      27.0       1.4
      28.0       2.6
      39.0       2.2
      41.0       1.3
      51.0       1.4
      52.0       3.3
      53.0       3.8
      54.0       1.6
      63.0       1.7
      65.0       3.8
      66.0       1.3
      78.0       2.0
      79.0       2.1
      80.0       8.1
      81.0       1.3
      90.0       2.1
      91.0       1.1
      92.0       1.2
      93.0       3.7
      94.0       1.1
      95.0       4.9
      96.0       1.1
      99.0       1.6
     105.0       1.0
     106.0       2.8
     107.0       2.8
     107.5       3.4
     108.0      13.3
     109.0       3.7
     123.0       7.9
     124.0       1.2
     143.0       1.5
     159.0       1.1
     169.0       4.4
     170.0       8.9
     171.0       4.6
     186.0       6.6
     187.0       2.4
     197.0       3.5
     198.0       1.1
     214.0       4.3
     215.0     100.0
     216.0      14.2
     217.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₃ N₃ O	0.040 g : 0.5 ml DMSO-d₆
4-(4-aminophenoxy)-o-phenylenediamine

    Assign.     Shift(ppm)

      A             6.640
      B             6.520
      C             6.433
      D             6.159
      E             5.984
      F     *1      4.75
      G     *1      4.55
      J     *1      4.14

     Hz     ppm     Int.

   2661.99   6.661     88
   2658.69   6.653    699
   2656.62   6.648    283
   2652.10   6.637    342
   2649.90   6.631   1000
   2646.73   6.623    149
   2612.92   6.539    143
   2609.74   6.531    993
   2607.54   6.525    333
   2603.03   6.514    292
   2600.95   6.509    708
   2597.66   6.500    100
   2575.32   6.444    530
   2567.02   6.424    584
   2463.01   6.163    586
   2460.33   6.157    619
   2397.09   5.998    339
   2394.41   5.992    317
   2388.92   5.978    317
   2386.11   5.971    297
   1899.66   4.754    332
   1817.63   4.549    472
   1655.76   4.144    284

in DMSO-d6