4-溴-2,6-二甲基苯酚(2374-05-2)Raman光譜

產品名稱:4-溴-2,6-二甲基苯酚

CAS:2374-05-2

分子式:C8H9BrO

分子量: 201.06

InChI:InChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3

InChIKey: ZLVFYUORUHNMBO-UHFFFAOYSA-N

Smiles:C1(O)=C(C)C=C(Br)C=C1C

Mass

MS-NW-9131          
4-bromo-2,6-xylenol
C8H9BrO             (Mass of molecular ion:    200)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.5
      38.0       1.7
      39.0       9.1
      40.0       1.1
      41.0       3.5
      43.0       3.9
      45.0       4.5
      46.0       2.3
      50.0       3.3
      51.0       9.4
      52.0       3.1
      53.0       5.7
      55.0       2.2
      59.0       1.5
      60.0       2.2
      60.5       1.3
      61.0       1.0
      62.0       2.2
      63.0       5.2
      64.0       1.5
      65.0      11.0
      66.0       1.7
      67.0       1.3
      74.0       1.1
      75.0       1.4
      76.0       1.1
      77.0      39.3
      78.0       7.9
      79.0       1.6
      89.0       2.0
      90.0       1.4
      91.0      39.1
      92.0      16.6
      93.0      10.3
      94.0       1.1
      99.0       1.1
     100.0       2.6
     101.0       1.8
     102.0       2.6
     103.0      16.7
     104.0       2.1
     107.0       2.2
     119.0       1.2
     120.0       1.8
     121.0     100.0
     122.0      10.9
     171.0       1.0
     182.0       1.1
     184.0       1.1
     185.0       3.8
     187.0       3.3
     199.0       6.5
     200.0      93.5
     201.0      14.4
     202.0      90.9
     203.0       8.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₉ Br O	0.047 g : 0.5 ml CDCl₃
4-bromo-2,6-xylenol

    Assign.     Shift(ppm)

      A             7.081
      B             4.6
      C             2.196

     Hz     ppm     Int.

    634.88   7.089    148
    634.25   7.082    199
    633.56   7.075    156
    197.31   2.204    554
    196.69   2.197   1000
    196.06   2.190    560

in CDCl3