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Back ChemicalBook Home>CAS DataBase List>5443-49-2More Spectrum> α-Bromocinnamaldehyde(5443-49-2) IR1

α-Bromocinnamaldehyde(5443-49-2) IR1

Molecular FormulaC9H7BrO

Molecular Weight211.06

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

InChIKey WQRWNOKNRHCLHV-UHFFFAOYSA-N

SmilesC(=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
    ChemicalStructure
        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



KBr disc



nujol mull



4880 A,200 M,powder



α-Bromocinnamaldehyde(5443-49-2) IR1 Atlas of Related Products

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