5339-26-4

4-Nitrophenethyl bromide(5339-26-4) Raman

Product Name4-Nitrophenethyl bromide

CAS 5339-26-4

Molecular FormulaC8H8BrNO2

Molecular Weight230.06

InChIInChI=1S/C8H8BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2

InChIKey NTURQZFFJDCTMZ-UHFFFAOYSA-N

SmilesC1(CCBr)=CC=C([N+]([O-])=O)C=C1

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4-Nitrophenethyl bromide(5339-26-4) Raman
Mass

MS-IW-6133          
p-nitrophenethyl bromide
C8H8BrNO2           (Mass of molecular ion:    229)

   Source Temperature: 130 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      27.0       2.9
      30.0       8.4
      38.0       1.6
      39.0       6.0
      50.0       9.9
      51.0      13.7
      52.0       4.1
      53.0       1.7
      62.0       2.8
      63.0       9.1
      64.0       2.5
      65.0       4.1
      74.0       4.9
      75.0       5.2
      76.0       6.2
      77.0      34.1
      78.0      31.1
      79.0       2.2
      89.0       8.8
      90.0       9.1
      91.0      12.1
      92.0       7.6
      93.0       1.1
     101.0       1.6
     102.0       8.7
     103.0      32.7
     104.0      39.7
     105.0       3.8
     106.0      18.1
     107.0       1.6
     119.0       4.5
     120.0      13.8
     121.0       1.4
     136.0      50.6
     137.0       4.1
     149.0       9.0
     150.0     100.0
     151.0       9.5
     183.0       6.5
     185.0       6.3
     213.0       1.7
     215.0       1.7
     229.0      98.8
     230.0       9.4
     231.0      97.1
     232.0       9.1

90 MHz in CDCl3

4-Nitrophenethyl bromide(5339-26-4) Raman

¹H NMR	89.56 MHz
C₈ H₈ Br N O₂	0.041 g : 0.5 ml CDCl₃
p-nitrophenethyl bromide

    Assign.     Shift(ppm)

      A             8.179
      B             7.397
      C             3.61
      D             3.30

     Hz     ppm     Int.

    739.94   8.262     60
    737.50   8.235    557
    735.44   8.212    184
    730.75   8.160    191
    728.63   8.136    717
    727.19   8.120     61
    726.31   8.110     95
    668.94   7.470     72
    668.44   7.464     49
    666.63   7.444    615
    666.06   7.438    412
    664.44   7.419    179
    659.81   7.368    146
    657.69   7.344    479
    655.81   7.323     49
    655.31   7.317     57
    332.81   3.717    203
    331.00   3.696    248
    326.50   3.646    242
    325.00   3.629    350
    324.19   3.620   1000
    318.69   3.559    495
    317.63   3.547    519
    300.69   3.358    288
    294.44   3.288    360
    292.25   3.264    149
    287.69   3.213    105
    285.94   3.193     92

in CDCl3