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1003-98-1

2-溴-4-氟苯胺(1003-98-1)質(zhì)譜(MS)

產(chǎn)品名稱:2-溴-4-氟苯胺

CAS:1003-98-1

分子式:C6H5BrFN

分子量: 190.01

InChI:InChI=1S/C6H5BrFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2

InChIKey: YLMFXCIATJJKQL-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(F)C=C1Br

  • 圖譜
    Mass

    MS-IW-9274          
    2-bromo-4-fluoroaniline
    C6H5BrFN            (Mass of molecular ion:    189)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       3.6
          31.0       3.4
          37.0       1.8
          38.0       2.2
          39.0       2.5
          41.0       1.0
          44.5       1.7
          50.0       1.7
          51.0       1.4
          52.0       5.6
          54.5      11.2
          55.0       5.4
          56.0       3.5
          57.0      11.1
          61.0       2.7
          62.0       3.7
          63.0       8.8
          64.0       2.0
          65.0       1.8
          80.0       1.4
          81.0       6.8
          82.0      15.1
          83.0      45.9
          84.0       5.2
          89.0       2.3
          90.0      11.7
          91.0       1.2
          94.5       8.2
          95.5       8.0
         108.0       3.4
         109.0      15.3
         110.0      43.8
         111.0       5.0
         161.0       2.8
         163.0       2.7
         188.0       1.2
         189.0     100.0
         190.0       8.1
         191.0      97.3
         192.0       6.9
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C6 H5 Br F N 0.05 ml : 0.5 ml CDCl3
    2-bromo-4-fluoroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.150 B 6.829 C 6.659 D 3.92

         Hz     ppm     Int.
    

       2863.04   7.164    914
       2860.23   7.157    921
       2854.98   7.144    892
       2852.05   7.137    924
       2739.75   6.856    519
       2736.82   6.849    507
       2731.69   6.836    664
       2730.83   6.834    743
       2728.76   6.828    624
       2728.03   6.827    690
       2722.90   6.814    634
       2719.97   6.806    634
       2667.97   6.676    994
       2662.84   6.663   1000
       2659.18   6.654    800
       2654.05   6.641    779
       1568.48   3.925    470
    

in CDCl3

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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