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352-34-1

对氟碘苯(352-34-1)质谱(MS)

产品名称:对氟碘苯

CAS:352-34-1

分子式:C6H4FI

分子量: 222

InChI:InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H

InChIKey: KGNQDBQYEBMPFZ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7538          
    p-fluoroiodobenzene
    C6H4FI              (Mass of molecular ion:    222)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          31.0       2.0
          37.0       3.4
          38.0       3.0
          39.0       1.7
          49.0       2.5
          50.0      15.2
          51.0       5.8
          57.0       1.9
          61.0       2.3
          62.0       2.3
          63.0       1.9
          68.0       6.7
          69.0       8.3
          73.0       2.3
          74.0       8.5
          75.0      39.7
          76.0       3.9
          92.0       1.5
          93.0       1.8
          94.0       6.4
          95.0      77.3
          96.0       5.4
         111.0       2.2
         127.0       5.1
         222.0     100.0
         223.0       7.0
    

parameter in TMS

90 MHz in CDCl3

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    1H NMR 300 MHz
    C6 H4 F I 10 mol% in TMS
    p-fluoroiodobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.492 D(B) 6.671 J(A,A') 2.31 J(A,B) 8.69 J(A,B') 0.29 J(A,X) 5.10 J(A',B) 0.29 J(A',B') 8.69 J(A',X) 5.10 J(B,B') 3.10 J(B,X) 8.39 J(B',X) 8.39 LOEMKER,J.E. ET AL. J.PHYS.CHEM. 72, 991 (1968)

         Hz     ppm     Int.
    

       2257.93   7.526     73
       2254.74   7.516    681
       2252.48   7.508    315
       2250.69   7.502    339
       2249.12   7.497    307
       2248.32   7.494    450
       2245.74   7.486    757
       2243.28   7.478    237
       2240.62   7.469    692
       2237.93   7.460    106
       2013.11   6.710     81
       2009.92   6.700    724
       2007.71   6.692    249
       2003.13   6.677    446
       2001.49   6.672    965
       2001.02   6.670   1000
       1998.81   6.663    239
       1997.77   6.659    107
       1994.17   6.647    402
       1992.61   6.642    566
       1989.83   6.633    104
    

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    1H NMR 89.56 MHz
    C6 H4 F I 0.05 ml : 0.5 ml CDCl3
    p-fluoroiodobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.594 B 6.806 HPM-02-310

         Hz     ppm     Int.
    

        690.63   7.712     80
        689.75   7.702     57
        687.50   7.677    579
        685.31   7.652    254
        682.31   7.619    620
        680.69   7.601    334
        680.13   7.595    318
        678.50   7.576    736
        675.50   7.543    299
        673.31   7.518    701
        670.13   7.483     96
        668.50   7.465     30
        668.13   7.461     30
        621.25   6.937     96
        618.13   6.902    700
        615.94   6.878    224
        612.75   6.842    146
        611.31   6.826    254
        609.56   6.807   1000
        607.38   6.782    262
        606.00   6.767    114
        602.81   6.731    210
        600.56   6.706    566
        597.38   6.671     71
        595.44   6.649     30
    

in CDCl3

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liquid film

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