4-Bromo-3-methylaniline(6933-10-4) IR1

Product Name4-Bromo-3-methylaniline

CAS 6933-10-4

Molecular FormulaC7H8BrN

Molecular Weight186.05

InChIInChI=1S/C7H8BrN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3

InChIKey MMEGELSFOYDPQW-UHFFFAOYSA-N

SmilesC1(N)=CC=C(Br)C(C)=C1

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Mass

MS-NW-6227          
4-bromo-m-toluidine
C7H8BrN             (Mass of molecular ion:    185)

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

      27.0       2.4
      28.0       5.0
      30.0       2.4
      37.0       1.8
      38.0       3.4
      39.0       6.4
      40.0       1.5
      41.0       3.0
      42.0       1.5
      50.0       4.6
      51.0       9.4
      51.5       2.1
      52.0       8.1
      52.5       8.1
      53.0       9.6
      54.0       2.4
      61.0       1.3
      62.0       2.7
      63.0       4.9
      64.0       1.6
      65.0       2.6
      66.0       1.9
      74.0       1.7
      75.0       1.6
      76.0       1.9
      77.0      21.0
      78.0      12.7
      79.0      17.4
      80.0       3.0
      89.0       2.5
      91.0       1.0
      92.5       2.7
      93.5       2.6
     104.0      14.3
     105.0       9.8
     106.0      58.7
     107.0       5.0
     184.0       7.7
     185.0     100.0
     186.0      15.4
     187.0      96.9
     188.0       8.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ Br N	0.050 g : 0.5 ml CDCl₃
4-bromo-m-toluidine

    Assign.     Shift(ppm)

      A             7.237
      B             6.549
      C             6.376
      D             3.51
      E             2.283

     Hz     ppm     Int.

    652.75   7.289    178
    644.38   7.195    219
    588.19   6.568    115
    585.50   6.538    162
    576.06   6.433    106
    573.25   6.401     74
    567.69   6.339     83
    564.81   6.307     63
    314.69   3.514     87
    204.63   2.285   1000

in CDCl3