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Back ChemicalBook Home>CAS DataBase List>626-55-1More Spectrum> 3-Pyridyl bromide(626-55-1) MS

3-Pyridyl bromide(626-55-1) MS

Product Name3-Pyridyl bromide

CAS626-55-1

Molecular FormulaC5H4BrN

Molecular Weight158

InChIInChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H

InChIKey NYPYPOZNGOXYSU-UHFFFAOYSA-N

SmilesC1=NC=CC=C1Br


  • 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
    ChemicalStructure
        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
    ChemicalStructure
        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



3-Pyridyl bromide(626-55-1) MS Atlas of Related Products

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