1-Bromo-4-propylbenzene(588-93-2) ¹³C NMR

Product Name1-Bromo-4-propylbenzene

CAS 588-93-2

Molecular FormulaC9H11Br

Molecular Weight199.09

InChIInChI=1S/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3

InChIKey NUPWGLKBGVNSJX-UHFFFAOYSA-N

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

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Mass

MS-IW-9538          
1-bromo-4-propylbenzene
C9H11Br             (Mass of molecular ion:    198)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.7
      38.0       1.3
      39.0       6.0
      41.0       3.3
      50.0       4.3
      51.0       7.0
      52.0       1.0
      57.0       1.2
      57.5       1.6
      58.0       1.7
      62.0       2.0
      63.0       6.6
      64.0       2.2
      65.0       2.2
      74.0       1.6
      75.0       2.6
      76.0       2.0
      77.0       5.6
      78.0       1.4
      89.0      13.2
      90.0      21.5
      91.0      11.9
     102.0       1.6
     103.0       2.2
     104.0       1.9
     115.0       3.0
     116.0       1.0
     117.0       2.4
     118.0       1.0
     119.0       6.4
     169.0     100.0
     170.0       8.2
     171.0      97.7
     172.0       7.9
     198.0      26.3
     199.0       2.7
     200.0      25.6
     201.0       2.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₁ Br	0.05 ml : 0.5 ml CDCl₃
1-bromo-4-propylbenzene

    Assign.     Shift(ppm)

      A             7.360
      B             7.012
      C             2.505
      D             1.589
      E             0.906

     Hz     ppm     Int.

   2948.36   7.378     94
   2945.92   7.372    502
   2943.97   7.367    190
   2939.33   7.355    212
   2937.50   7.351    549
   2934.94   7.344     85
   2808.59   7.028     98
   2806.27   7.022    466
   2804.20   7.017    174
   2799.68   7.006    176
   2797.73   7.001    408
   2795.29   6.995     65
   1008.67   2.524    262
   1001.22   2.506    339
    993.41   2.486    274
    653.81   1.636     56
    646.48   1.618    201
    638.92   1.599    306
    631.35   1.580    320
    623.90   1.562    206
    616.58   1.543     59
    369.51   0.925    598
    362.18   0.907   1000
    354.74   0.888    533

in CDCl3