4-溴苯酚(106-41-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:4-溴苯酚

CAS:106-41-2

分子式:C6H5BrO

分子量: 173.01

InChI:InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChIKey: GZFGOTFRPZRKDS-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(Br)C=C1

Mass

MS-NW-1849          
p-bromophenol
C6H5BrO             (Mass of molecular ion:    172)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       2.9
      27.0       2.3
      28.0       2.4
      29.0       2.6
      31.0       2.3
      32.0       4.6
      36.0       1.5
      37.0       9.9
      38.0      18.1
      39.0      46.4
      40.0       1.6
      42.0       1.2
      46.0       5.6
      49.0       3.2
      50.0      10.8
      51.0       3.9
      53.0       9.8
      55.0       1.6
      60.0       1.9
      61.0       8.7
      62.0      13.9
      63.0      27.8
      64.0      13.7
      65.0     100.0
      66.0       6.7
      73.0       2.0
      74.0       5.7
      75.0       3.5
      76.0       1.1
      79.0       1.3
      81.0       1.3
      86.0       3.3
      87.0       3.0
      92.0       3.1
      93.0      33.8
      94.0       2.5
     117.0       3.3
     119.0       3.3
     143.0       4.0
     144.0       1.1
     145.0       3.8
     146.0       1.1
     172.0      94.0
     173.0       6.8
     174.0      91.4
     175.0       6.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₅ Br O	0.047 g : 0.5 ml CDCl₃
p-bromophenol

    Assign.     Shift(ppm)

      A             7.313
      B             6.709
      C             5.13

     Hz     ppm     Int.

    663.56   7.410     56
    660.25   7.373    727
    659.69   7.366    215
    658.00   7.348    220
    653.63   7.299    240
    651.31   7.273    965
    649.38   7.251     50
    648.06   7.237    106
    608.13   6.791     94
    604.94   6.755   1000
    602.63   6.729    249
    598.19   6.680    208
    595.94   6.655    731
    592.69   6.618     61
    459.19   5.128    234

in CDCl3