19829-31-3

3-溴苯丙酮(19829-31-3)红外图谱(IR1)

产品名称:3-溴苯丙酮

CAS:19829-31-3

分子式:C9H9BrO

分子量: 213.07

InChI:InChI=1S/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

InChIKey: QSHLXVTVXQTHBS-UHFFFAOYSA-N

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

Mass

MS-IW-9459          
3'-bromopropiophenone
C9H9BrO             (Mass of molecular ion:    212)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       2.3
      27.0       4.9
      28.0       2.1
      29.0       9.0
      38.0       2.5
      39.0       1.3
      50.0      15.6
      51.0       5.0
      55.0       1.4
      57.0       4.3
      63.0       1.4
      74.0       6.1
      75.0      20.6
      76.0      22.3
      77.0       4.4
     104.0       2.1
     105.0       1.0
     155.0      36.0
     156.0       2.9
     157.0      35.1
     158.0       2.5
     183.0     100.0
     184.0       8.0
     185.0      97.3
     186.0       7.6
     212.0      18.1
     213.0       2.0
     214.0      17.5
     215.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ Br O	0.040 g : 0.5 ml CDCl₃
3'-bromopropiophenone

    Assign.     Shift(ppm)

      A             8.086
      B             7.880
      C             7.672
      D             7.340
      E             2.977
      F             1.221

     Hz     ppm     Int.

   3233.40   8.091    139
   3231.69   8.087    252
   3229.98   8.083    143
   3154.66   7.894    107
   3153.56   7.891    120
   3153.08   7.890    114
   3151.98   7.887    104
   3146.85   7.875    114
   3145.87   7.872    126
   3145.26   7.871    123
   3144.17   7.868    108
   3072.02   7.687    114
   3070.92   7.685    119
   3069.95   7.682    115
   3068.97   7.680    109
   3064.09   7.667    128
   3062.99   7.665    130
   3062.01   7.662    131
   3061.04   7.660    115
   2941.65   7.361    143
   2941.28   7.360    141
   2933.72   7.341    239
   2933.35   7.340    234
   2925.90   7.322    119
   2925.54   7.321    117
   1200.93   3.005    150
   1193.73   2.987    467
   1186.52   2.969    479
   1179.32   2.951    164
    495.48   1.240    532
    488.28   1.222   1000
    485.84   1.216     38
    483.40   1.210     35
    481.08   1.204    506

in CDCl3