873-75-6

4-溴芐醇(873-75-6)紅外圖譜(IR1)

產品名稱:4-溴芐醇

CAS:873-75-6

分子式:C7H7BrO

分子量: 187.03

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

InChIKey: VEDDBHYQWFOITD-UHFFFAOYSA-N

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

Mass

MS-NW-6607          
p-bromobenzyl alcohol
C7H7BrO             (Mass of molecular ion:    186)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       2.0
      26.0       1.5
      27.0       5.0
      28.0       2.0
      29.0       7.2
      31.0       6.0
      37.0       3.9
      38.0       6.4
      39.0      10.9
      43.0       1.8
      44.0       1.3
      49.0       2.5
      50.0      22.3
      51.0      24.9
      52.0       6.8
      53.0      11.3
      53.5       2.4
      55.0       1.0
      61.0       2.6
      62.0       5.0
      63.0       8.7
      64.0       2.0
      73.0       2.4
      74.0       9.7
      75.0      13.0
      76.0      10.8
      77.0      98.6
      78.0      38.0
      79.0      95.0
      80.0       6.3
      86.0       1.2
      87.0       1.0
      89.0      11.6
      90.0      10.3
      91.0       1.9
      92.5       1.5
      93.5       1.2
     105.0       4.8
     106.0       1.6
     107.0     100.0
     108.0       7.9
     155.0       5.6
     156.0       1.1
     157.0      15.1
     158.0       1.7
     159.0       9.7
     169.0       8.6
     170.0       1.5
     171.0       8.5
     172.0       1.3
     183.0       3.6
     184.0       1.6
     185.0      13.1
     186.0      57.9
     187.0      14.4
     188.0      56.1
     189.0       4.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₇ Br O	0.043 g : 0.5 ml CDCl₃
p-bromobenzyl alcohol

    Assign.     Shift(ppm)

      A             7.45
      B             7.20
      C             4.590
      D             2.19

     Hz     ppm     Int.

    672.63   7.511    188
    670.56   7.488     67
    666.19   7.439     87
    664.06   7.415    371
    661.94   7.392     60
    649.56   7.253     72
    647.81   7.234    278
    645.56   7.209     74
    641.19   7.160     52
    639.69   7.143    129
    639.06   7.136    157
    638.50   7.130     72
    411.13   4.591    539
    196.00   2.189   1000

in CDCl3