585-71-7

(1-Bromoethyl)benzene(585-71-7) ¹³C NMR

Product Name(1-Bromoethyl)benzene

CAS 585-71-7

Molecular FormulaC8H9Br

Molecular Weight185.06

InChIInChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3

InChIKey CRRUGYDDEMGVDY-UHFFFAOYSA-N

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

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(1-Bromoethyl)benzene(585-71-7) <sup>13</sup>C NMR
Mass

MS-NW-8350          
(1-bromoethyl)benzene
C8H9Br              (Mass of molecular ion:    184)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       3.5
      38.0       1.0
      39.0       4.0
      50.0       4.0
      51.0      10.6
      52.0       3.2
      62.0       1.1
      63.0       2.8
      65.0       1.1
      74.0       1.5
      75.0       1.1
      76.0       1.4
      77.0      14.2
      78.0       8.1
      79.0      14.3
      80.0       1.0
      89.0       1.3
      91.0       1.7
     102.0       1.7
     103.0      11.9
     104.0      13.6
     105.0     100.0
     106.0       9.4

90 MHz in CDCl3

(1-Bromoethyl)benzene(585-71-7) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₈ H₉ Br	0.05 ml : 0.5 ml CDCl₃
(1-bromoethyl)benzene

    Assign.     Shift(ppm)

      A          7.38 to 7.25
      B             5.170
      C             2.001

     Hz     ppm     Int.

    669.63   7.477     62
    667.69   7.456     73
    665.69   7.433    107
    664.25   7.417    131
    663.13   7.405    142
    661.06   7.382    274
    658.81   7.357    403
    657.69   7.344    202
    656.56   7.331    277
    655.00   7.314    391
    654.25   7.306    376
    652.75   7.289    317
    651.75   7.278    222
    650.31   7.262    266
    649.38   7.251    352
    648.19   7.238    152
    647.00   7.225    294
    645.88   7.212    106
    644.56   7.197     68
    643.81   7.189     66
    473.50   5.287     55
    466.50   5.209    162
    459.63   5.133    168
    452.69   5.055     60
    182.69   2.040   1000
    175.75   1.963    950

in CDCl3