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15852-73-0

3-溴苯甲醇(15852-73-0)核磁图(13CNMR)

产品名称:3-溴苯甲醇

CAS:15852-73-0

分子式:C7H7BrO

分子量: 187.03

InChI:InChI=1S/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2

InChIKey: FSWNRRSWFBXQCL-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7563          
    m-bromobenzyl alcohol
    C7H7BrO             (Mass of molecular ion:    186)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       2.3
          26.0       1.3
          27.0       4.7
          28.0       2.7
          29.0       6.9
          31.0       5.7
          37.0       2.8
          38.0       5.8
          39.0      10.9
          40.0       1.0
          43.0       1.6
          44.0       1.1
          49.0       2.3
          50.0      20.6
          51.0      25.6
          52.0       6.5
          53.0      11.3
          53.5       2.9
          55.0       1.0
          61.0       2.4
          62.0       5.2
          63.0       9.0
          64.0       2.0
          73.0       2.0
          74.0       8.5
          75.0      12.4
          76.0      11.7
          77.0     100.0
          78.0      38.7
          79.0      95.9
          80.0       6.1
          82.0       1.1
          86.0       1.4
          87.0       1.1
          89.0      13.3
          90.0       9.9
          91.0       1.5
          92.5       1.6
          93.5       1.4
         105.0       5.7
         106.0       1.4
         107.0      81.0
         108.0       7.5
         155.0       6.1
         156.0       1.3
         157.0      17.1
         158.0       2.0
         159.0      12.4
         169.0       6.3
         170.0       1.1
         171.0       6.0
         183.0       2.9
         184.0       1.0
         185.0       9.8
         186.0      59.4
         187.0      11.6
         188.0      57.1
         189.0       4.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H7 Br O 0.05 ml : 0.5 ml CDCl3
    m-bromobenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.415 B 7.358 C 7.16 D 7.15 E 4.501 F 3.48 C AND D WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

       2965.58   7.421    175
       2964.48   7.418    274
       2963.62   7.416    332
       2962.89   7.414    305
       2962.16   7.412    276
       2961.55   7.411    230
       2946.04   7.372    131
       2944.09   7.367    162
       2943.36   7.365    151
       2942.63   7.364     89
       2941.77   7.361     77
       2940.92   7.359    112
       2939.82   7.356    189
       2938.11   7.352    169
       2937.01   7.349    168
       2935.06   7.345    136
       2931.88   7.337     37
       2930.42   7.333     35
       2868.77   7.179     71
       2867.31   7.175     75
       2863.65   7.166    615
       2862.67   7.163    708
       2861.69   7.161    213
       2861.08   7.159    251
       2859.62   7.156    235
       2857.30   7.150    335
       2856.81   7.149    371
       2849.73   7.131     68
       2849.12   7.130     67
       1799.19   4.502   1000
       1798.58   4.501    979
       1388.79   3.476     83
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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