7781-49-9

5-(4-碘苯)-1-(4-硝基苯)-3-苯基甲(7781-49-9)红外图谱(IR2)

产品名称:5-(4-碘苯)-1-(4-硝基苯)-3-苯基甲

CAS:7781-49-9

分子式:C19H14IN5O2

分子量: 471.25

InChI:InChI=1S/C19H14IN5O2/c20-15-6-8-16(9-7-15)21-23-19(14-4-2-1-3-5-14)24-22-17-10-12-18(13-11-17)25(26)27/h1-13,22H

InChIKey: FVFWUNAWQMROIF-UHFFFAOYSA-N

Smiles:C(=NNC1=CC=C([N+]([O-])=O)C=C1)(N=NC1=CC=C(I)C=C1)C1=CC=CC=C1

Mass

MS-NW-9117          
5-(p-iodophenyl)-1-(p-nitrophenyl)-3-phenylformazan
C19H14IN5O2         (Mass of molecular ion:    471)

   Source Temperature: 210 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      17.0       1.6
      18.0       9.0
      27.0       1.9
      28.0      14.9
      29.0       1.1
      30.0      82.6
      37.0       1.6
      38.0       4.3
      39.0      14.0
      40.0       1.4
      41.0       3.6
      43.0       1.1
      50.0      17.2
      51.0      14.6
      52.0       8.2
      53.0       3.2
      57.0       1.0
      58.0       1.4
      62.0       4.3
      63.0      29.5
      64.0      27.7
      65.0      18.7
      66.0       2.4
      74.0       4.9
      75.0       8.4
      76.0      42.4
      77.0      36.3
      78.0       4.6
      79.0       4.9
      80.0       3.8
      81.0       1.7
      83.0       1.0
      88.0       3.0
      89.0       5.0
      90.0      39.9
      91.0      52.9
      92.0      21.1
      93.0       3.0
     102.0       1.6
     103.0      28.4
     104.0      18.8
     105.0      21.1
     106.0       3.8
     107.0       3.7
     108.0       3.4
     115.0       1.5
     118.0       1.1
     120.0       1.1
     121.0       2.9
     122.0       4.1
     123.0       2.3
     127.0       2.0
     128.0       2.5
     136.0       3.7
     137.0      21.2
     138.0       8.7
     139.0       6.1
     140.0       4.5
     141.0       1.0
     145.0       2.5
     150.0       1.5
     151.0       1.8
     152.0       2.2
     153.0       1.2
     154.0       1.4
     160.0       1.4
     163.0       2.9
     164.0       4.0
     165.0       8.9
     166.0      16.6
     167.0      11.7
     168.0       2.3
     178.0       1.2
     179.0       5.0
     180.0       1.7
     181.0       1.5
     182.0       1.8
     183.0       1.6
     191.0       6.9
     192.0       4.3
     193.0      11.2
     194.0     100.0
     195.0      17.0
     196.0       1.6
     203.0      16.7
     204.0       8.8
     209.0       2.5
     210.0       1.8
     211.0       1.3
     212.0       2.0
     217.0      26.9
     218.0      90.7
     219.0      25.3
     220.0       2.1
     223.0      10.2
     224.0       1.8
     225.0       1.9
     231.0       3.5
     235.5       1.9
     239.0      19.3
     240.0      61.8
     241.0      23.0
     242.0       3.5
     249.0       5.1
     256.0       3.5
     268.0       1.8
     292.0       1.0
     294.0       1.7
     306.0       4.3
     307.0       1.3
     310.0       4.7
     320.0      37.0
     321.0       6.8
     322.0       1.4
     324.0       1.8
     330.0      11.2
     337.0       1.6
     339.0       1.1
     340.0      10.6
     341.0       1.6
     342.0       1.2
     345.0       1.0
     349.0       2.1
     353.0       1.0
     362.0       1.1
     421.0       1.9
     441.0       1.4
     442.0       1.1
     443.0      15.9
     444.0       3.5
     471.0      24.0
     472.0       5.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₉ H₁₄ I N₅ O₂	saturated in DMSO-d₆
5-(p-iodophenyl)-1-(p-nitrophenyl)-3-phenylformazan

    Assign.     Shift(ppm)

      A            12.7
      B             8.245
      C             8.018
      D             7.892
      E             7.777
      F             7.672
      G          7.48 to 7.43
     
     ASSIGNED BY C-H AND H-H COSY.

     Hz     ppm     Int.

   3257.62   8.152    164
   3256.88   8.150    146
   3255.97   8.148    127
   3255.05   8.145    127
   3250.47   8.134    126
   3249.01   8.130    159
   3224.65   8.069    122
   3214.21   8.043    126
   3209.44   8.031    594
   3205.96   8.022    272
   3205.60   8.022    270
   3201.02   8.010    757
   3181.79   7.962    146
   3163.47   7.916    164
   3157.79   7.902    719
   3153.58   7.891    331
   3153.03   7.890    332
   3149.73   7.882    573
   3144.97   7.870    174
   3142.59   7.864    122
   3119.51   7.806    128
   3118.96   7.805    137
   3117.31   7.801    175
   3111.82   7.787    577
   3111.45   7.786    580
   3108.15   7.778    369
   3104.67   7.769    635
   3100.28   7.758    169
   3098.99   7.755    137
   3096.98   7.750    132
   3096.43   7.748    131
   3095.33   7.746    143
   3094.41   7.743    125
   3089.10   7.730    122
   3088.55   7.729    142
   3088.00   7.727    136
   3087.64   7.726    131
   3070.60   7.684    605
   3066.57   7.674    289
   3066.02   7.672    286
   3061.81   7.662    606
   3054.67   7.644    135
   3053.94   7.642    130
   3053.57   7.641    132
   3052.65   7.639    136
   3052.29   7.638    140
   3051.74   7.637    143
   3051.19   7.635    143
   3050.64   7.634    140
   3050.09   7.632    127
   3044.78   7.619    136
   3044.23   7.618    137
   3043.68   7.616    130
   3043.31   7.615    128
   3042.21   7.613    125
   3041.66   7.611    123
   3041.11   7.610    125
   3039.46   7.606    123
   3038.92   7.604    127
   3038.37   7.603    127
   3037.45   7.601    128
   3037.08   7.600    127
   3036.35   7.598    126
   3035.98   7.597    122
   3035.25   7.595    123
   3034.89   7.594    122
   3033.42   7.591    126
   3033.05   7.590    130
   3032.69   7.589    123
   3032.14   7.587    126
   3000.27   7.508    123
   2999.53   7.506    125
   2997.15   7.500    199
   2995.14   7.495    249
   2994.59   7.494    252
   2992.21   7.488    310
   2991.84   7.487    312
   2991.29   7.485    312
   2986.16   7.472    711
   2979.02   7.455   1000
   2974.81   7.444    353
   2973.16   7.440    309
   2972.79   7.439    305
   2967.66   7.426    140
   2966.56   7.423    159
   2965.10   7.420    122

in DMSO-d6