5-Bromoindole(10075-50-0) MS

Product Name5-Bromoindole

CAS 10075-50-0

Molecular FormulaC8H6BrN

Molecular Weight196.04

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

InChIKey VXWVFZFZYXOBTA-UHFFFAOYSA-N

SmilesN1C2=C(C=C(Br)C=C2)C=C1

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5-Bromoindole(10075-50-0) MS
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

5-Bromoindole(10075-50-0) MS

¹H NMR	399.65 MHz
C₈ H₆ Br N	0.041 g : 0.5 ml CDCl₃
5-bromoindole

    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