576-23-8

2,3-Dimethylbromobenzene(576-23-8) IR1

Product Name2,3-Dimethylbromobenzene

CAS 576-23-8

Molecular FormulaC8H9Br

Molecular Weight185.06

InChIInChI=1S/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3

InChIKey WLPXNBYWDDYJTN-UHFFFAOYSA-N

SmilesC1(Br)=CC=CC(C)=C1C

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2,3-Dimethylbromobenzene(576-23-8) IR1
Mass

MS-NW-8663          
3-bromo-o-xylene
C8H9Br              (Mass of molecular ion:    184)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.7
      38.0       1.7
      39.0       6.4
      50.0       5.2
      51.0      14.7
      52.0       3.8
      53.0       2.3
      61.0       1.0
      62.0       2.7
      63.0       6.5
      64.0       1.4
      65.0       2.0
      74.0       2.1
      75.0       2.0
      76.0       1.8
      77.0      19.0
      78.0      10.9
      79.0      16.6
      80.0       1.1
      89.0       3.0
      90.0       3.1
      91.0       1.8
      92.0       1.4
     102.0       2.6
     103.0      17.7
     104.0       9.0
     105.0     100.0
     106.0       9.1
     169.0       6.8
     171.0       6.6
     183.0       3.4
     184.0      55.4
     185.0       8.1
     186.0      54.2
     187.0       4.8

400 MHz in CDCl3

90 MHz in CDCl3

2,3-Dimethylbromobenzene(576-23-8) IR1

¹H NMR	399.65 MHz
C₈ H₉ Br	0.05 ml : 0.5 ml CDCl₃
3-bromo-o-xylene

    Assign.     Shift(ppm)

      A             7.344
      B             7.007
      C             6.872
      D     *1      2.307
      E     *1      2.260

     Hz     ppm     Int.

   2939.58   7.356    176
   2939.21   7.355    174
   2931.52   7.336    190
   2931.15   7.335    188
   2805.30   7.020    150
   2804.81   7.019    155
   2797.36   7.000    200
   2753.78   6.891    162
   2745.97   6.871    243
   2738.28   6.852    119
    922.24   2.308    984
    921.88   2.307   1000
    903.20   2.260    941

2,3-Dimethylbromobenzene(576-23-8) IR1

¹H NMR	89.56 MHz
C₈ H₉ Br	0.05 ml : 0.5 ml CDCl₃
3-bromo-o-xylene

    Assign.     Shift(ppm)

      A             7.35
      B             7.02
      C             6.90
      D     *1      2.324
      E     *1      2.283

     Hz     ppm     Int.

    663.94   7.414     72
    662.50   7.398     69
    662.00   7.392     69
    656.38   7.329    105
    654.63   7.310    104
    633.19   7.071     52
    627.38   7.006    155
    626.06   6.991    117
    625.75   6.987    119
    622.94   6.956    173
    615.44   6.872    137
    607.94   6.789     42
    208.19   2.325   1000
    204.44   2.283    872
    200.19   2.236     55

in CDCl3