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10075-50-0

5-溴吲哚(10075-50-0)红外图谱(IR2)

产品名称:5-溴吲哚

CAS:10075-50-0

分子式:C8H6BrN

分子量: 196.04

InChI:InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

InChIKey: VXWVFZFZYXOBTA-UHFFFAOYSA-N

Smiles:N1C2=C(C=C(Br)C=C2)C=C1

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    Mass

    MS-IW-7699          
    5-bromoindole
    C8H6BrN             (Mass of molecular ion:    195)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       1.6
          37.0       1.1
          38.0       1.9
          39.0       3.2
          43.0       1.1
          44.0       1.2
          50.0       2.3
          51.0       1.5
          52.0       1.2
          57.5       9.8
          58.0      10.7
          61.0       2.4
          62.0       7.0
          63.0      10.3
          64.0       2.0
          65.0       1.5
          74.0       1.2
          75.0       1.1
          85.0       1.4
          86.0       2.5
          87.0       3.9
          88.0       6.6
          89.0      28.2
          90.0       3.5
          97.0       9.4
          97.5       1.1
          98.0       9.5
          98.5       1.1
          99.0       1.0
         114.0       3.0
         115.0      11.6
         116.0      86.1
         117.0       8.2
         167.0       1.4
         168.0       1.2
         169.0       1.5
         170.0       1.2
         194.0       2.6
         195.0     100.0
         196.0      11.7
         197.0      97.3
         198.0       9.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H6 Br N 0.041 g : 0.5 ml CDCl3
    5-bromoindole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.1 B 7.758 C 7.254 D 7.204 E 7.147 F 6.470

         Hz     ppm     Int.
    

       3226.07   8.073     73
       3101.81   7.762    807
       3100.59   7.759    668
       3099.85   7.757    841
       3099.24   7.755    538
       2906.13   7.272    363
       2904.30   7.268    357
       2903.93   7.267    331
       2897.58   7.251    743
       2897.22   7.250    747
       2895.63   7.246    768
       2892.94   7.239     32
       2882.57   7.213    787
       2881.84   7.211   1000
       2881.10   7.210    722
       2877.44   7.200     32
       2876.59   7.198     35
       2874.02   7.192    335
       2873.29   7.190    461
       2872.44   7.188    335
       2859.38   7.155    521
       2856.57   7.148    687
       2853.76   7.141    524
       2588.75   6.478    416
       2587.89   6.476    449
       2586.67   6.473    470
       2585.69   6.470    675
       2584.59   6.468    462
       2583.50   6.465    440
       2582.64   6.463    399
    

in CDCl3

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KBr disc

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nujol mull

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