540-37-4

对碘苯胺(540-37-4)红外图谱(IR2)

产品名称:对碘苯胺

CAS:540-37-4

分子式:C6H6IN

分子量: 219.02

InChI:InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

InChIKey: VLVCDUSVTXIWGW-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(I)C=C1

Mass

MS-NW-1517          
p-iodoaniline
C6H6IN              (Mass of molecular ion:    219)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      28.0       2.3
      37.0       3.5
      38.0       6.7
      39.0      18.2
      40.0       2.2
      41.0       6.7
      42.0       1.8
      50.0       4.6
      51.0       2.4
      52.0       6.7
      54.0       1.3
      61.0       3.3
      62.0       5.5
      63.0      12.3
      64.0      10.0
      65.0      59.1
      66.0       7.0
      74.0       2.3
      75.0       1.3
      90.0       1.7
      91.0       8.0
      92.0      57.6
      93.0       4.1
     109.5       5.6
     127.0       5.3
     191.0       1.0
     218.0       1.0
     219.0     100.0
     220.0       7.0

parameter in acetone

90 MHz in CDCl3

¹H NMR	300 MHz
C₆ H₆ I N	11 mol% in acetone
p-iodoaniline

    Parameter     ppm  Hz

      D(A)         7.30
      D(B)         6.50
       J(A,A')         2.3
       J(A,B)          8.4
       J(A,B')         0.3
       J(A',B)         0.3
       J(A',B')        8.4
       J(B,B')         2.6
     
      D(C)         4.30
     
     DISCHLER,B. Z.NATURFORSCH. 20A, 888 (1965)

     Hz     ppm     Int.

   2197.25   7.324     36
   2194.40   7.315    323
   2192.38   7.308    108
   2187.80   7.293    113
   2185.78   7.286    352
   2182.94   7.276     40
   1957.11   6.524     40
   1954.23   6.514    349
   1952.24   6.507    113
   1947.64   6.492    108
   1945.64   6.485    323
   1942.77   6.476     35
   1289.99   4.300   1000

¹H NMR	89.56 MHz
C₆ H₆ I N	0.037 g : 0.5 ml CDCl₃
p-iodoaniline

    Assign.     Shift(ppm)

      A             3.61
      B             6.449
      C             7.389

     Hz     ppm     Int.

    669.31   7.474     79
    666.38   7.441    871
    665.69   7.433    239
    664.25   7.417    241
    659.81   7.368    245
    658.25   7.350    314
    657.63   7.343   1000
    654.75   7.311     97
    584.38   6.526    102
    581.56   6.494    977
    580.88   6.486    264
    579.38   6.470    250
    574.88   6.419    225
    573.44   6.403    240
    572.75   6.396    839
    569.81   6.363     67
    323.06   3.608    145

in CDCl3