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Back ChemicalBook Home>CAS DataBase List>20244-61-5More Spectrum> 2,4,4,6-TETRABROMO-2,5-CYCLOHEXADIENONE(20244-61-5) MS

2,4,4,6-TETRABROMO-2,5-CYCLOHEXADIENONE(20244-61-5) MS

Molecular FormulaC6H2Br4O

Molecular Weight409.7

InChIInChI=1S/C6H2Br4O/c7-3-1-6(9,10)2-4(8)5(3)11/h1-2H

InChIKey NJQJGRGGIUNVAB-UHFFFAOYSA-N

SmilesC1(=O)C(Br)=CC(Br)(Br)C=C1Br


  • Mass

    MS-IW-9167          
    2,4,4,6-tetrabromo-2,5-cyclohexadienone
    C6H2Br4O            (Mass of molecular ion:    406)
    

       Source Temperature: 150 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          17.0       1.5
          18.0       9.0
          25.0       1.9
          26.0       1.4
          28.0      10.4
          29.0       1.1
          36.0       5.6
          37.0      17.0
          38.0       4.6
          39.0       1.4
          44.0       1.8
          45.0       2.4
          48.0       1.2
          49.0       5.8
          50.0       5.4
          53.0      12.1
          60.0       9.2
          61.0      44.4
          62.0      76.3
          63.0      18.8
          64.0       2.2
          66.0       1.1
          70.0      10.2
          70.5       2.5
          71.0      11.4
          71.5       2.5
          72.0       1.3
          73.0       3.6
          74.0       4.6
          79.0      11.5
          80.0      16.4
          81.0      11.0
          82.0      13.2
          84.0       1.6
          84.5       1.0
          85.0       2.9
          86.0       2.1
          90.0       9.1
          91.0       9.1
          93.0       1.7
         104.0       1.1
         106.0       1.0
         110.0      11.7
         110.5       2.1
         111.0      21.8
         111.5       2.8
         112.0      10.9
         112.5       1.3
         115.0       1.6
         116.0       4.7
         117.0       4.9
         118.0       4.7
         119.0       3.4
         124.0       5.5
         125.0      10.8
         126.0       5.4
         131.0       1.3
         133.0       1.1
         139.0       1.0
         140.0       4.7
         141.0      46.1
         142.0       8.8
         143.0      44.4
         144.0       4.4
         150.0       2.1
         151.0       1.4
         151.5       2.4
         158.0      30.1
         160.0      57.2
         162.0      27.7
         164.0       3.0
         165.0       8.3
         166.0       7.9
         167.0       2.7
         169.0       3.4
         170.0       7.0
         171.0       4.8
         172.0       7.1
         173.0       3.4
         175.0       1.5
         195.0       5.1
         197.0       9.4
         199.0       4.8
         219.0       1.0
         220.0      13.2
         221.0       8.0
         222.0      26.3
         223.0      12.2
         224.0      13.0
         225.0       5.6
         248.0      14.3
         249.0       3.5
         250.0      27.7
         251.0       6.5
         252.0      14.4
         253.0       3.1
         299.0      13.3
         301.0      38.5
         302.0       2.4
         303.0      38.0
         304.0       2.2
         305.0      11.8
         327.0      17.0
         328.0      34.3
         329.0      50.5
         330.0     100.0
         331.0      54.2
         332.0      92.5
         333.0      21.3
         334.0      30.0
         335.0       1.9
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C6 H2 Br4 O 0.038 g : 0.5 ml CDCl3
    2,4,4,6-tetrabromo-2,5-cyclohexadienone
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.787

         Hz     ppm     Int.
    

       2336.10   7.787   1000
    

nujol mull



2,4,4,6-TETRABROMO-2,5-CYCLOHEXADIENONE(20244-61-5) MS Atlas of Related Products

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