5391-88-8

1-(4-溴苯基)-1-乙醇(5391-88-8)核磁图(¹³CNMR)

产品名称:1-(4-溴苯基)-1-乙醇

CAS:5391-88-8

分子式:C8H9BrO

分子量: 201.06

InChI:InChI=1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3

InChIKey: XTDTYSBVMBQIBT-UHFFFAOYSA-N

Smiles:C1(C=CC(Br)=CC=1)C(O)C

Mass

MS-KW-0226          
4-bromo-alpha-methylbenzyl alcohol
C8H9BrO             (Mass of molecular ion:    200)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.1
      17.0       1.6
      18.0       5.8
      27.0       4.0
      29.0       3.1
      37.0       1.7
      38.0       5.1
      39.0       6.5
      43.0      48.2
      44.0       2.4
      45.0       5.6
      46.0       1.3
      49.0       1.9
      50.0      17.5
      51.0      27.8
      51.5       1.6
      52.0       4.8
      53.0       8.7
      59.0       1.1
      60.0       2.4
      61.0       1.5
      62.0       3.2
      63.0       4.5
      64.0       1.0
      65.0       1.9
      73.0       1.9
      74.0       7.6
      75.0      12.2
      76.0      10.1
      77.0     100.0
      78.0      35.3
      79.0       3.0
      89.0       1.3
      90.0       1.2
      91.0       4.5
      92.0       4.1
      92.5       4.4
      93.0       1.1
      93.5       5.6
      99.0       1.2
     100.0       1.0
     101.0       2.7
     102.0      10.7
     103.0      27.9
     104.0       7.4
     105.0       2.9
     106.0       1.2
     121.0      17.8
     122.0       1.8
     155.0       3.8
     156.0       6.1
     157.0      22.4
     158.0       7.1
     159.0      18.2
     160.0       1.3
     181.0       1.5
     182.0      37.2
     183.0       8.3
     184.0      37.0
     185.0      69.5
     186.0       5.6
     187.0      61.3
     188.0       4.6
     199.0       1.3
     200.0      16.2
     201.0       2.9
     202.0      15.9
     203.0       1.5

400 MHz in CDCl3