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3-Pyridyl bromide

Product Name 3-Pyridyl bromide

CAS626-55-1

MFC5H4BrN

MW158

¹³CNMR

Mass

MS-NW-1139          
3-bromopyridine
C5H4BrN             (Mass of molecular ion:    157)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.7
      25.0       1.2
      26.0       3.4
      27.0       2.6
      28.0       3.9
      37.0       3.2
      38.0       3.9
      38.5       1.6
      39.0       2.1
      49.0       6.8
      50.0      29.9
      51.0      59.5
      52.0       6.7
      75.0       2.5
      76.0       4.6
      77.0       1.8
      78.0     100.0
      79.0       6.0
      81.0       1.2
     104.0       2.0
     106.0       2.1
     129.0       1.1
     131.0       1.2
     157.0      78.2
     158.0       5.1
     159.0      75.8
     160.0       4.5

parameter in DMSO-d6

90 MHz in CDCl3

¹H NMR	300 MHz
C₅ H₄ Br N	30 % in DMSO
3-bromopyridine

    Parameter     ppm  Hz

      D(A)         8.79
      D(B)         8.18
      D(C)         7.72
      D(D)         8.77
       J(A,B)          1.8
       J(A,C)          0.8
       J(A,D)          0.0
       J(B,C)          8.3
       J(B,D)          1.9
       J(C,D)          4.8
     
     BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
     66, 159 (1962)

     Hz     ppm     Int.

   2638.20   8.794    879
   2637.53   8.792    971
   2636.49   8.788   1000
   2635.78   8.786    958
   2634.40   8.781    779
   2632.48   8.775    706
   2629.58   8.765    690
   2627.68   8.759    684
   2460.10   8.200    341
   2458.26   8.194    612
   2456.44   8.188    336
   2451.81   8.173    389
   2449.97   8.167    689
   2448.13   8.160    371
   2322.73   7.742    436
   2322.09   7.740    438
   2317.93   7.726    437
   2317.29   7.724    439
   2314.43   7.715    405
   2313.79   7.713    400
   2309.64   7.699    379
   2308.99   7.697    376

¹H NMR	89.56 MHz
C₅ H₄ Br N	0.04 ml : 0.5 ml CDCl₃
3-bromopyridine

    Assign.     Shift(ppm)

      A             8.682
      B             8.523
      C             7.804
      D             7.190

     Hz     ppm     Int.

    779.13   8.700    903
    778.63   8.694    919
    776.81   8.674   1000
    776.31   8.669    984
    766.50   8.559    671
    765.06   8.543    751
    761.81   8.507    752
    760.38   8.491    798
    705.50   7.878    641
    704.00   7.861    667
    703.13   7.851    652
    701.63   7.835    609
    697.38   7.787    842
    695.88   7.770    864
    695.00   7.761    859
    693.50   7.744    802
    650.19   7.260    845
    649.44   7.252    860
    645.50   7.208    801
    644.75   7.200    799
    642.06   7.170    663
    641.31   7.161    652
    637.31   7.117    607
    636.56   7.108    613

in CDCl3

liquid film

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