5443-49-2

α-溴代肉桂醛(5443-49-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:α-溴代肉桂醛

CAS:5443-49-2

分子式:C9H7BrO

分子量: 211.06

InChI:InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H

InChIKey: WQRWNOKNRHCLHV-UHFFFAOYSA-N

Smiles:C(=O)C(Br)=CC1=CC=CC=C1

Mass

MS-NW-8835          
alpha-bromocinnamaldehyde
C9H7BrO             (Mass of molecular ion:    210)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.1
      27.0       2.6
      28.0       1.2
      29.0       2.9
      38.0       2.4
      39.0       7.2
      50.0      18.9
      51.0      37.7
      52.0       9.4
      53.0       6.7
      61.0       1.6
      62.0       5.7
      63.0      11.3
      64.0       1.1
      65.0       2.0
      65.5       7.3
      73.0       1.3
      74.0      13.1
      75.0      16.8
      76.0      22.3
      77.0      64.1
      78.0      38.9
      79.0       2.6
      80.0       1.0
      82.0       1.1
      86.0       1.0
      87.0       1.7
      91.0       2.8
      98.0       2.0
     101.0       6.4
     102.0      66.0
     103.0     100.0
     104.0       9.0
     105.0       6.7
     129.0       2.6
     130.0       8.5
     131.0      34.7
     132.0       3.9
     181.0       2.4
     182.0       5.8
     183.0       2.8
     184.0       5.5
     209.0      81.9
     210.0      70.1
     211.0      86.3
     212.0      68.3
     213.0       6.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₇ Br O	0.051 g : 0.5 ml CDCl₃
alpha-bromocinnamaldehyde

    Assign.     Shift(ppm)

      A             9.341
      B             8.00
      C             7.896
      D             7.50
      E             7.48
     
     J(A,C)=0.4 HZ
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    836.72   9.343   1000
    836.35   9.339    944
    721.73   8.059    180
    721.22   8.053    160
    720.19   8.042    115
    719.60   8.035    158
    719.17   8.031    172
    718.43   8.022    142
    716.82   8.004    145
    715.72   7.992    211
    714.33   7.976    114
    713.75   7.970    106
    713.16   7.963    113
    712.65   7.958    147
    711.99   7.950    216
    711.40   7.944    251
    710.16   7.930     97
    707.37   7.899    544
    677.42   7.564    100
    675.37   7.541    111
    674.56   7.532    187
    673.61   7.522    737
    672.00   7.504    221
    670.75   7.490    484
    669.58   7.477    165
    669.07   7.471    212
    668.26   7.462    172
    667.53   7.454    264
    666.87   7.447    386
    665.04   7.426     76
    664.09   7.416     84
    663.65   7.411     69
    662.84   7.402     76

in CDCl3