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109-04-6

2-溴吡啶(109-04-6)核磁图(1HNMR)

产品名称:2-溴吡啶

CAS:109-04-6

分子式:C5H4BrN

分子量: 158

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

InChIKey: IMRWILPUOVGIMU-UHFFFAOYSA-N

Smiles:C1(Br)=NC=CC=C1

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    Mass

    MS-NW-2643          
    2-bromopyridine
    C5H4BrN             (Mass of molecular ion:    157)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       3.2
          27.0       5.7
          28.0       4.2
          37.0       1.3
          38.0       2.3
          39.0       2.8
          49.0       2.1
          50.0      11.3
          51.0      30.9
          52.0       9.1
          75.0       1.5
          76.0       3.3
          77.0       1.1
          78.0     100.0
          78.5       1.1
          79.0       5.9
          79.5       1.1
         157.0      32.4
         158.0       2.0
         159.0      30.8
         160.0       1.9
    

parameter in CCl4

90 MHz in CDCl3

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    1H NMR 300 MHz
    C5 H4 Br N 10 vol% in CCl4
    2-bromopyridine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.31 D(B) 7.17 D(C) 7.46 D(D) 7.40 J(A,B) 4.81 J(A,C) 2.09 J(A,D) 0.79 J(B,C) 7.39 J(B,D) 0.94 J(C,D) 8.03 SMITH,W.B. & ROARK,J.L. J.PHYS.CHEM. 73, 1049 (1969)

         Hz     ppm     Int.
    

       2496.84   8.323    473
       2496.06   8.320    502
       2494.80   8.316    514
       2494.02   8.313    502
       2492.05   8.307    500
       2491.20   8.304    521
       2490.04   8.300    521
       2489.22   8.297    491
       2247.61   7.492    245
       2245.56   7.485    238
       2240.46   7.468    328
       2239.60   7.465    563
       2238.47   7.462    347
       2237.54   7.458    544
       2232.48   7.442    646
       2230.47   7.435    648
       2224.15   7.414    677
       2223.07   7.410   1000
       2222.11   7.407    756
       2216.14   7.387    335
       2215.25   7.384    423
       2214.11   7.380    263
       2157.39   7.191    478
       2156.17   7.187    465
       2152.59   7.175    478
       2151.32   7.171    498
       2150.30   7.168    462
       2149.08   7.164    412
       2145.52   7.152    395
       2144.26   7.148    383
    

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    1H NMR 89.56 MHz
    C5 H4 Br N 0.05 ml : 0.5 ml CDCl3
    2-bromopyridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.36 B 7.56 C 7.49 D 7.26

         Hz     ppm     Int.
    

        752.63   8.404    152
        751.75   8.394    178
        750.75   8.383    193
        749.88   8.373    184
        747.88   8.351    177
        746.38   8.334    235
        745.06   8.320    185
        686.50   7.666    103
        684.50   7.643     95
        680.25   7.596     72
        678.56   7.577    417
        676.56   7.555    421
        673.19   7.517    404
        672.31   7.507   1000
        670.50   7.487    865
        669.75   7.479    656
        666.50   7.442     31
        665.25   7.428    152
        664.25   7.417    141
        662.94   7.403     76
        657.31   7.340     58
        655.88   7.324    440
        653.63   7.299    300
        651.06   7.270    384
        649.63   7.254    257
        648.63   7.243    281
        647.38   7.229    243
        645.06   7.203    216
        642.56   7.175    209
    

in CDCl3

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liquid film

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