2-Bromoanisole(578-57-4) ¹³C NMR

Product Name2-Bromoanisole

CAS 578-57-4

Molecular FormulaC7H7BrO

Molecular Weight187.03

InChIInChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

InChIKey HTDQSWDEWGSAMN-UHFFFAOYSA-N

SmilesC1(Br)=CC=CC=C1OC

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Mass

MS-NW-8352          
o-bromoanisole
C7H7BrO             (Mass of molecular ion:    186)

   Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       1.7
      27.0       1.0
      28.0       1.2
      29.0       1.0
      37.0       3.1
      38.0       7.5
      39.0       5.8
      49.0       1.0
      50.0      10.2
      51.0      11.6
      52.0       1.2
      53.0       2.5
      61.0       2.1
      62.0       5.1
      63.0      21.9
      64.0      17.1
      65.0       4.4
      74.0       4.3
      75.0       7.2
      76.0       6.6
      77.0      25.1
      78.0       4.8
      79.0       8.1
      92.0      13.7
      93.0       2.2
     107.0       3.5
     117.0       4.7
     119.0       4.7
     143.0      44.7
     144.0       2.8
     145.0      43.4
     146.0       2.5
     155.0       2.4
     156.0       2.1
     157.0       2.8
     158.0       2.1
     171.0      34.1
     172.0       7.1
     173.0      33.4
     174.0       6.4
     186.0     100.0
     187.0       8.0
     188.0      97.7
     189.0       7.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₇ Br O	10.7 mol% in CDCl₃
o-bromoanisole

    Assign.     Shift(ppm)

      A             7.49
      B          6.69 to 6.92
      C             7.22
      D             3.845

     Hz     ppm     Int.

    677.13   7.561     62
    676.50   7.554     60
    675.44   7.542     93
    675.13   7.539     88
    669.75   7.479     64
    669.13   7.472     81
    667.69   7.456    113
    656.88   7.335     45
    655.19   7.316     45
    650.00   7.258     54
    648.25   7.239     87
    646.88   7.223     77
    641.38   7.162    103
    639.69   7.143     90
    617.19   6.892    116
    616.00   6.879    151
    614.44   6.861     32
    610.06   6.812     53
    609.13   6.802    140
    608.63   6.796    156
    607.56   6.784     56
    607.06   6.779     64
    601.38   6.715     60
    599.81   6.698     48
    343.88   3.840   1000

in CDCl3