80866-82-6

5-溴-2-甲氧基苯甲醇(80866-82-6)核磁圖(¹HNMR)

產(chǎn)品名稱(chēng):5-溴-2-甲氧基苯甲醇

CAS:80866-82-6

分子式:C8H9BrO2

分子量: 217.06

InChI:InChI=1S/C8H9BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3

InChIKey: HAOOGRLZVQWDBY-UHFFFAOYSA-N

Smiles:C1(CO)=CC(Br)=CC=C1OC

Mass

MS-NW-6866          
5-bromo-2-methoxybenzyl alcohol
C8H9BrO2            (Mass of molecular ion:    216)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       5.5
      18.0       1.0
      26.0       1.4
      27.0       4.7
      28.0       3.8
      29.0       7.8
      31.0       7.8
      33.0       1.1
      37.0       4.3
      38.0       8.4
      39.0      20.0
      40.0       3.6
      41.0       2.6
      42.0       1.1
      43.0       2.7
      45.0       5.7
      46.0       1.0
      47.0       2.0
      49.0       2.0
      50.0      17.4
      51.0      22.7
      52.0       4.2
      53.0       5.6
      55.0       4.5
      61.0       4.8
      62.0       9.4
      63.0      23.3
      64.0       6.8
      65.0      22.0
      66.0      11.6
      67.0       1.2
      68.0       1.4
      68.5       3.4
      73.0       2.3
      74.0       9.9
      75.0      17.2
      76.0      14.3
      77.0      44.9
      78.0      17.6
      79.0       7.0
      80.0       1.3
      81.0       1.0
      82.0       1.2
      86.0       1.2
      87.0       1.1
      89.0       8.8
      90.0      11.1
      91.0      15.6
      92.0       5.6
      93.0       5.2
      94.0      57.4
      95.0       4.4
     100.5       1.9
     101.5       1.8
     104.0       1.6
     105.0       3.4
     106.0       2.3
     107.0      23.4
     108.0      44.6
     109.0      35.2
     110.0       2.8
     117.0       1.7
     118.0       3.6
     119.0       4.6
     120.0       1.6
     121.0       7.3
     122.0       5.6
     135.0       4.2
     136.0       2.3
     137.0      90.9
     138.0       8.1
     142.0       1.1
     143.0       3.9
     144.0       1.3
     145.0       3.8
     154.0       2.6
     155.0      10.0
     156.0       5.7
     157.0      12.1
     158.0       3.6
     159.0       3.0
     169.0      10.5
     170.0       5.4
     171.0      12.2
     172.0       8.4
     173.0       4.0
     174.0       4.1
     175.0       1.6
     182.0       1.6
     183.0      23.5
     184.0      13.7
     185.0      35.7
     186.0      13.6
     187.0      22.2
     188.0       3.2
     189.0      10.0
     190.0       1.2
     197.0       1.5
     198.0       7.1
     199.0      12.6
     200.0      13.0
     201.0      26.3
     202.0       7.9
     203.0      14.9
     204.0       1.3
     213.0       1.4
     214.0       1.4
     215.0      10.1
     216.0     100.0
     217.0      17.3
     218.0      97.9
     219.0       8.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₉ Br O₂	0.041 g : 0.5 ml CDCl₃
5-bromo-2-methoxybenzyl alcohol

    Assign.     Shift(ppm)

      A             7.41
      B             7.36
      C             6.739
      D             4.630
      E             3.826
      F             2.25

     Hz     ppm     Int.

    666.00   7.437     32
    665.31   7.429     54
    663.56   7.410    239
    663.06   7.404    184
    662.13   7.394     68
    655.50   7.320     97
    652.94   7.291     63
    650.06   7.259     59
    607.44   6.783     82
    606.69   6.775     77
    598.63   6.685     65
    414.81   4.632    417
    342.94   3.830   1000
    202.13   2.257    448

in CDCl3