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80866-82-6

5-溴-2-甲氧基苯甲醇(80866-82-6)质谱(MS)

分子式:C8H9BrO2

分子量: 217.06

InChI:InChI=1S/C8H9BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3

InChIKey: HAOOGRLZVQWDBY-UHFFFAOYSA-N

Smiles:C1(CO)=CC(Br)=CC=C1OC

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    Mass

    MS-NW-6866          
    5-bromo-2-methoxybenzyl alcohol
    C8H9BrO2            (Mass of molecular ion:    216)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       5.5
          18.0       1.0
          26.0       1.4
          27.0       4.7
          28.0       3.8
          29.0       7.8
          31.0       7.8
          33.0       1.1
          37.0       4.3
          38.0       8.4
          39.0      20.0
          40.0       3.6
          41.0       2.6
          42.0       1.1
          43.0       2.7
          45.0       5.7
          46.0       1.0
          47.0       2.0
          49.0       2.0
          50.0      17.4
          51.0      22.7
          52.0       4.2
          53.0       5.6
          55.0       4.5
          61.0       4.8
          62.0       9.4
          63.0      23.3
          64.0       6.8
          65.0      22.0
          66.0      11.6
          67.0       1.2
          68.0       1.4
          68.5       3.4
          73.0       2.3
          74.0       9.9
          75.0      17.2
          76.0      14.3
          77.0      44.9
          78.0      17.6
          79.0       7.0
          80.0       1.3
          81.0       1.0
          82.0       1.2
          86.0       1.2
          87.0       1.1
          89.0       8.8
          90.0      11.1
          91.0      15.6
          92.0       5.6
          93.0       5.2
          94.0      57.4
          95.0       4.4
         100.5       1.9
         101.5       1.8
         104.0       1.6
         105.0       3.4
         106.0       2.3
         107.0      23.4
         108.0      44.6
         109.0      35.2
         110.0       2.8
         117.0       1.7
         118.0       3.6
         119.0       4.6
         120.0       1.6
         121.0       7.3
         122.0       5.6
         135.0       4.2
         136.0       2.3
         137.0      90.9
         138.0       8.1
         142.0       1.1
         143.0       3.9
         144.0       1.3
         145.0       3.8
         154.0       2.6
         155.0      10.0
         156.0       5.7
         157.0      12.1
         158.0       3.6
         159.0       3.0
         169.0      10.5
         170.0       5.4
         171.0      12.2
         172.0       8.4
         173.0       4.0
         174.0       4.1
         175.0       1.6
         182.0       1.6
         183.0      23.5
         184.0      13.7
         185.0      35.7
         186.0      13.6
         187.0      22.2
         188.0       3.2
         189.0      10.0
         190.0       1.2
         197.0       1.5
         198.0       7.1
         199.0      12.6
         200.0      13.0
         201.0      26.3
         202.0       7.9
         203.0      14.9
         204.0       1.3
         213.0       1.4
         214.0       1.4
         215.0      10.1
         216.0     100.0
         217.0      17.3
         218.0      97.9
         219.0       8.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H9 Br O2 0.041 g : 0.5 ml CDCl3
    5-bromo-2-methoxybenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.41 B 7.36 C 6.739 D 4.630 E 3.826 F 2.25

         Hz     ppm     Int.
    

        666.00   7.437     32
        665.31   7.429     54
        663.56   7.410    239
        663.06   7.404    184
        662.13   7.394     68
        655.50   7.320     97
        652.94   7.291     63
        650.06   7.259     59
        607.44   6.783     82
        606.69   6.775     77
        598.63   6.685     65
        414.81   4.632    417
        342.94   3.830   1000
        202.13   2.257    448
    

in CDCl3

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KBr disc

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nujol mull

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