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网站主页CAS数据库列表 2042-37-7更多图谱2-溴苯腈(2042-37-7)核磁图(13CNMR)

2-溴苯腈

产品名称 2-溴苯腈

CAS号2042-37-7

分子式C7H4BrN

分子量182.02

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  • Mass

    MS-NW-6333          
    o-bromobenzonitrile
    C7H4BrN             (Mass of molecular ion:    181)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          26.0       1.3
          27.0       3.1
          37.0       5.0
          38.0       4.8
          39.0       4.3
          49.0       4.2
          50.0      17.1
          50.5       3.0
          51.0      18.2
          52.0       3.2
          61.0       1.7
          62.0       2.1
          63.0       2.0
          73.0       2.7
          74.0       8.3
          75.0      28.0
          76.0      14.3
          77.0       1.0
          79.0       1.1
          81.0       1.1
          90.5       3.0
          91.5       3.1
          99.0       3.4
         100.0       3.2
         101.0       2.3
         102.0      91.8
         103.0       7.5
         181.0     100.0
         182.0       7.9
         183.0      96.6
         184.0       7.5
    

90 MHz in CDCl3

parameter in CDCl3


  • 1H NMR 89.56 MHz
    C7 H4 Br N 0.043 g : 0.5 ml CDCl3
    o-bromobenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.69 B 7.65 C 7.46 D 7.44 CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        694.94   7.760    238
        694.38   7.754    295
        691.81   7.725    369
        690.44   7.710    280
        689.94   7.704    371
        689.06   7.694    309
        687.38   7.676    549
        686.50   7.666    458
        685.69   7.657    613
        685.06   7.650    781
        682.63   7.623    788
        682.00   7.616    537
        679.94   7.593    106
        679.06   7.583    191
        677.19   7.562     83
        676.06   7.549    315
        674.13   7.528    163
        671.75   7.501   1000
        670.50   7.487    971
        668.56   7.465    563
        666.94   7.447    686
        666.00   7.437    644
        664.13   7.416    494
        663.19   7.405     98
        661.69   7.389    837
        656.69   7.333     88
    


  • 1H NMR 300 MHz
    C7 H4 Br N in CCl4
    o-bromobenzonitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.63 D(B) 7.43 D(C) 7.45 D(D) 7.67 J(A,B) 7.78 J(A,C) 1.33 J(A,D) 0.43 J(B,C) 7.44 J(B,D) 1.59 J(C,D) 7.84 SMITH,W.B. & ROARK,J.L. J.AM.CHEM.SOC. 89, 5018 (1967)

         Hz     ppm     Int.
    

       2309.98   7.700     29
       2305.86   7.686    329
       2303.47   7.678    273
       2302.61   7.675    247
       2300.35   7.668    246
       2298.58   7.662    317
       2296.43   7.655    448
       2293.89   7.646    344
       2291.85   7.639    280
       2290.07   7.634    230
       2287.97   7.627    264
       2287.11   7.624    312
       2284.81   7.616    443
       2280.60   7.602     51
       2277.47   7.592     17
       2244.91   7.483     67
       2242.72   7.476    150
       2237.50   7.458    544
       2235.30   7.451    952
       2231.67   7.439   1000
       2228.22   7.427    731
       2226.09   7.420    404
       2220.93   7.403    107
       2218.67   7.396     56
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder