2-溴代-2-乙?；?613-54-7)Raman光譜

產(chǎn)品名稱:2-溴代-2-乙?；?/a>

CAS:613-54-7

分子式:C12H9BrO

分子量: 249.1

InChI:InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2

InChIKey: YHXHHGDUANVQHE-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C2C(=C1)C=CC=C2)CBr

Mass

MS-NW-7752          
2-bromo-2'-acetonaphthone
C12H9BrO            (Mass of molecular ion:    248)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      39.0       1.6
      50.0       2.9
      51.0       3.6
      57.5       2.6
      62.0       2.3
      63.0       4.4
      63.5       2.1
      70.5       1.3
      74.0       4.0
      75.0       4.9
      76.0       3.1
      77.0       7.3
      77.5       1.4
      86.0       1.4
      87.0       2.0
      89.0       1.1
      98.0       1.5
      99.0       1.2
     100.0       1.1
     101.0       4.8
     115.0       6.4
     126.0      10.6
     127.0      44.3
     128.0       5.3
     139.0       4.0
     140.0       1.6
     141.0      15.0
     142.0       2.1
     155.0     100.0
     156.0      12.3
     157.0       1.0
     170.0       1.0
     248.0      16.2
     249.0       2.4
     250.0      16.3
     251.0       2.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₉ Br O	0.034 g : 0.5 ml CDCl₃
2-bromo-2'-acetonaphthone

    Assign.     Shift(ppm)

      A             8.492
      B             8.010
      C             7.963
      D             7.901
      E             7.875
      F             7.621
      G             7.569
      J             4.568

     Hz     ppm     Int.

   3394.78   8.495    104
   3393.43   8.492    106
   3207.28   8.026     85
   3205.44   8.021     83
   3198.61   8.004    121
   3196.90   8.000    119
   3187.01   7.975     68
   3186.28   7.973     67
   3178.96   7.955     74
   3178.22   7.953     73
   3177.61   7.951     60
   3161.99   7.912    119
   3153.08   7.890    105
   3152.34   7.888     88
   3151.61   7.886     70
   3151.00   7.885     69
   3143.55   7.866     72
   3142.82   7.864     76
   3054.81   7.644     47
   3053.47   7.641     51
   3047.85   7.627     86
   3046.63   7.624     99
   3045.29   7.620     47
   3039.79   7.607     81
   3038.33   7.603     72
   3031.86   7.587     73
   3030.40   7.583     79
   3024.90   7.569     46
   3023.68   7.566     91
   3022.46   7.563     69
   3016.85   7.549     40
   3015.50   7.546     37
   1825.81   4.569   1000

in CDCl3