615-36-1

鄰溴苯胺(615-36-1)質(zhì)譜(MS)

產(chǎn)品名稱:鄰溴苯胺

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

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

¹H NMR	89.56 MHz
C₆ H₆ Br N	0.045 g : 0.5 ml CDCl₃
o-bromoaniline

    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