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1-Fluoro-3-iodobenzene

Product Name 1-Fluoro-3-iodobenzene

CAS1121-86-4

MFC6H4FI

MW222

¹³CNMR

Mass

MS-NW-9214          
m-fluoroiodobenzene
C6H4FI              (Mass of molecular ion:    222)

   Source Temperature: 270 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      31.0       2.3
      37.0       3.5
      38.0       3.2
      39.0       1.9
      49.0       2.7
      50.0      16.7
      51.0       6.6
      56.0       1.0
      57.0       1.9
      61.0       2.7
      62.0       2.8
      63.0       2.3
      68.0       8.5
      69.0       9.8
      73.0       2.5
      74.0      10.8
      75.0      45.6
      76.0       4.0
      92.0       1.7
      93.0       2.4
      94.0       8.3
      95.0      95.7
      96.0       6.3
     111.0       3.1
     127.0       8.9
     222.0     100.0
     223.0       6.7

parameter in TMS

400 MHz in CDCl3

¹H NMR	300 MHz
C₆ H₄ F I	10 mol% in TMS
m-fluoroiodobenzene

    Parameter     ppm  Hz

      D(A)         7.337
      D(B)         6.884
      D(C)         6.881
      D(D)         7.362
       J(A,B)          2.50
       J(A,C)          0.30
       J(A,D)          1.57
       J(A,X)          8.14
       J(B,C)          8.38
       J(B,D)          0.95
       J(B,X)          8.42
       J(C,D)          7.88
       J(C,X)          5.85
       J(D,X)         -0.27
     
     LOEMKER,J.E. ET AL. J.PHYS.CHEM. 72, 991 (1968)

     Hz     ppm     Int.

   2219.07   7.397     23
   2217.06   7.390     38
   2215.61   7.385    151
   2213.98   7.380    308
   2212.39   7.375    364
   2210.66   7.369    150
   2209.98   7.367    128
   2208.27   7.361    350
   2207.45   7.358    451
   2205.68   7.352    639
   2203.89   7.346   1000
   2201.35   7.338    155
   2199.04   7.330    329
   2197.61   7.325    257
   2196.58   7.322    496
   2194.82   7.316    183
   2078.29   6.928     14
   2076.35   6.921     47
   2074.28   6.914     42
   2071.16   6.904    769
   2069.48   6.898    938
   2068.49   6.895    412
   2066.85   6.889    318
   2065.79   6.886    555
   2064.73   6.882    465
   2060.81   6.869    375
   2060.21   6.867    433
   2058.30   6.861    745
   2055.99   6.853    210
   2050.80   6.836     21
   2049.81   6.833     10

¹H NMR	399.65 MHz
C₆ H₄ F I	0.05 ml : 0.5 ml CDCl₃
m-fluoroiodobenzene

    Assign.     Shift(ppm)

      A             7.452
      B             7.413
      C          7.02 to 7.00

     Hz     ppm     Int.

   2983.89   7.467    296
   2982.30   7.463    368
   2981.32   7.460    221
   2980.35   7.458    333
   2979.49   7.456    221
   2978.27   7.453    257
   2977.78   7.451    216
   2976.07   7.447    375
   2975.71   7.446    384
   2975.10   7.445    364
   2973.51   7.441    427
   2968.63   7.429    282
   2967.90   7.427    325
   2967.04   7.425    317
   2965.70   7.421    508
   2964.23   7.418    203
   2960.33   7.408    316
   2959.84   7.407    275
   2957.76   7.401    479
   2956.05   7.397    225
   2820.19   7.057     67
   2819.58   7.056     72
   2813.72   7.041    124
   2813.23   7.040    115
   2811.77   7.036    440
   2811.16   7.035    375
   2809.81   7.031    372
   2807.62   7.026    355
   2806.40   7.023    748
   2805.05   7.019   1000
   2801.64   7.011    383
   2799.19   7.005    868
   2798.22   7.002    481
   2797.24   7.000    415
   2793.33   6.990     79
   2791.02   6.984     92
   2788.94   6.979     32

in CDCl3

liquid film

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