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588-93-2

4-丙基溴苯(588-93-2)核磁图(13CNMR)

产品名称:4-丙基溴苯

CAS:588-93-2

分子式:C9H11Br

分子量: 199.09

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

InChIKey: NUPWGLKBGVNSJX-UHFFFAOYSA-N

Smiles:C1(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

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

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liquid film

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