6952-59-6

3-Bromobenzonitrile(6952-59-6) Raman

Product Name3-Bromobenzonitrile

CAS 6952-59-6

Molecular FormulaC7H4BrN

Molecular Weight182.02

InChIInChI=1S/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H

InChIKey STXAVEHFKAXGOX-UHFFFAOYSA-N

SmilesC(#N)C1=CC=CC(Br)=C1

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3-Bromobenzonitrile(6952-59-6) Raman
Mass

MS-NW-6225          
m-bromobenzonitrile
C7H4BrN             (Mass of molecular ion:    181)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       1.0
      27.0       2.3
      37.0       4.4
      38.0       4.8
      39.0       2.4
      49.0       3.7
      50.0      17.8
      50.5       3.0
      51.0      16.8
      52.0       2.9
      61.0       1.7
      62.0       2.1
      63.0       1.8
      64.0       1.1
      73.0       2.5
      74.0       7.7
      75.0      24.4
      76.0      12.6
      77.0       1.1
      90.5       3.6
      91.5       3.5
      99.0       3.0
     100.0       2.9
     101.0       2.2
     102.0     100.0
     103.0       8.4
     181.0      90.8
     182.0       7.8
     183.0      86.6
     184.0       7.2

400 MHz in CDCl3

3-Bromobenzonitrile(6952-59-6) Raman

¹H NMR	399.65 MHz
C₇ H₄ Br N	0.036 g : 0.5 ml CDCl₃
m-bromobenzonitrile

    Assign.     Shift(ppm)

      A             7.799
      B             7.752
      C             7.612
      D             7.373

     Hz     ppm     Int.

   3121.34   7.811     36
   3119.14   7.805    468
   3118.65   7.804    536
   3117.19   7.800   1000
   3116.70   7.799    736
   3115.60   7.796    662
   3115.11   7.795    615
   3104.00   7.767    464
   3103.03   7.765    532
   3102.05   7.762    438
   3100.95   7.760    393
   3095.95   7.747    504
   3094.85   7.744    572
   3093.87   7.742    457
   3092.90   7.740    440
   3047.49   7.626    422
   3046.39   7.623    472
   3046.02   7.622    517
   3044.92   7.619    441
   3042.11   7.612     34
   3039.79   7.607    518
   3038.70   7.604    581
   3038.21   7.603    597
   3037.23   7.600    457
   2954.59   7.393    519
   2954.10   7.392    541
   2946.41   7.373    906
   2938.72   7.354    430
   2938.23   7.353    449

in CDCl3