15852-73-0

3-溴苯甲醇(15852-73-0)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):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

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

¹H NMR	399.65 MHz
C₇ H₇ Br O	0.05 ml : 0.5 ml CDCl₃
m-bromobenzyl alcohol

    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