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615-36-1

邻溴苯胺(615-36-1)核磁图(13CNMR)

产品名称:邻溴苯胺

CAS:615-36-1

分子式:C6H6BrN

分子量: 172.02

InChI:InChI=1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2

InChIKey: AOPBDRUWRLBSDB-UHFFFAOYSA-N

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

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    Mass

    MS-NW-8695          
    o-bromoaniline
    C6H6BrN             (Mass of molecular ion:    171)
    

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

          18.0       1.1
          28.0       4.1
          37.0       4.0
          38.0       7.7
          39.0      15.1
          40.0       2.2
          41.0       4.9
          42.0       2.0
          44.5       2.6
          45.5      14.8
          46.0       2.5
          50.0       3.0
          51.0       2.5
          52.0       8.8
          53.0       1.0
          61.0       2.6
          62.0       4.7
          63.0      11.8
          64.0      11.9
          65.0      61.7
          66.0       8.4
          74.0       1.5
          75.0       1.4
          85.5       5.0
          86.5       4.9
          90.0       3.1
          91.0      11.5
          92.0      61.6
          93.0      11.2
         117.0       1.0
         119.0       1.1
         127.0       2.8
         143.0       1.5
         145.0       1.5
         171.0     100.0
         172.0       7.5
         173.0      97.9
         174.0       7.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H6 Br N 0.045 g : 0.5 ml CDCl3
    o-bromoaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.385 B 7.075 C 6.734 D 6.607 E 4.01 J(A,B)=1.5HZ. J(A,C)=0.3HZ. J(A,D)=7.9HZ. J(B,C)=8.1HZ. J(B,D)=7.1HZ. J(C,D)=1.7HZ.

         Hz     ppm     Int.
    

        666.75   7.445    527
        666.44   7.442    528
        665.25   7.428    657
        658.94   7.358    626
        658.56   7.354    624
        657.38   7.341    807
        643.31   7.184    339
        641.81   7.167    329
        636.25   7.105    460
        635.25   7.094    564
        634.69   7.087    483
        633.81   7.077    557
        628.19   7.015    718
        626.69   6.998    656
        607.38   6.782    641
        606.06   6.768   1000
        599.38   6.693    557
        598.69   6.685    868
        598.00   6.678    656
        597.00   6.666    586
        591.63   6.606    524
        590.88   6.598    618
        589.94   6.588    486
        589.19   6.579    491
        583.69   6.518    402
        582.00   6.499    356
        358.94   4.008    953
    

in CDCl3

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liquid film

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OXIDATION WITH PERBENZOIC ACID

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