Product NameANTI-3,5-DIBROMOSALICYLALDEHYDEOXIME

CAS

Molecular FormulaC7H5Br2NO2

Molecular Weight294.9281

InChIInChI=1S/C7H5Br2NO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H/b10-3+

InChIKey LRNICNSWROUZCF-XCVCLJGOSA-N

SmilesC(=N/O)\C1=CC(Br)=CC(Br)=C1O

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Mass

MS-NW-2433          
anti-3,5-dibromosalicylaldehyde oxime
C7H5Br2NO2          (Mass of molecular ion:    293)

   Source Temperature: 190 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      16.0       1.0
      17.0       8.8
      18.0      39.1
      19.0       2.5
      25.0       3.1
      26.0       3.3
      27.0       2.6
      28.0      31.8
      29.0       5.0
      30.0       4.1
      31.0       1.4
      36.0       6.3
      37.0      28.8
      38.0      19.8
      39.0       9.0
      39.5       1.3
      40.0       1.7
      41.0       2.7
      43.0       1.0
      44.0       5.3
      44.5      14.6
      45.0       3.0
      45.5       2.9
      48.0       2.1
      49.0      10.1
      50.0      23.5
      51.0      16.8
      52.0      15.8
      53.0      32.4
      53.5       5.8
      54.0       3.6
      55.0       1.4
      60.0       9.0
      61.0      55.1
      62.0     100.0
      63.0      67.0
      64.0      11.6
      65.0       3.8
      66.0       3.7
      67.0       1.8
      71.0       1.0
      72.0       1.3
      73.0       7.4
      74.0      20.2
      75.0      25.4
      76.0      13.1
      77.0       4.2
      78.0       7.4
      79.0       6.7
      80.0       2.1
      81.0       5.0
      82.0       2.1
      83.5       1.4
      84.0       2.2
      84.5       3.6
      85.0       2.8
      85.5       2.1
      86.0       6.4
      87.0      13.4
      88.0      58.5
      89.0      33.3
      90.0      23.1
      91.0      21.3
      92.0       3.1
      93.0       2.4
      99.0       2.7
     100.0       2.5
     104.0       1.4
     105.0       1.0
     106.0       2.2
     107.0       2.6
     108.0       1.0
     115.0       1.6
     116.0       6.1
     117.0       9.3
     118.0       6.2
     119.0       7.4
     123.5       1.4
     124.5       3.1
     125.5       1.9
     128.0       1.3
     129.0       1.8
     130.0       2.0
     131.0       3.5
     133.0       1.9
     135.0       2.0
     140.0       2.5
     141.0      55.0
     142.0       9.9
     143.0      57.6
     144.0       8.1
     145.0       5.8
     147.5       1.1
     153.0       1.3
     154.0       2.1
     155.0       3.3
     156.0       2.6
     157.0       2.9
     158.0       2.0
     159.0       1.8
     160.0       1.1
     167.0       3.9
     168.0      38.4
     169.0      12.7
     170.0      44.3
     171.0      10.3
     172.0       8.3
     173.0       1.9
     183.0       3.2
     185.0       4.2
     186.0       1.5
     187.0       1.2
     195.0       1.7
     196.0      34.8
     197.0      13.5
     198.0      33.7
     199.0      11.5
     200.0       1.8
     213.0       1.2
     215.0       1.1
     220.0       2.5
     221.0       3.1
     222.0       5.3
     223.0       5.5
     224.0       3.3
     225.0       2.7
     247.0      10.1
     248.0       2.7
     249.0      19.5
     250.0       3.7
     251.0      10.7
     252.0       1.7
     275.0      25.6
     276.0       5.0
     277.0      51.6
     278.0       9.4
     279.0      29.3
     280.0       5.5
     281.0       3.6
     293.0      11.0
     295.0      21.1
     296.0       1.7
     297.0       9.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₅ Br₂ N O₂	0.038 g : 0.5 ml DMSO-d₆
anti-3,5-dibromosalicylaldehyde oxime

    Assign.     Shift(ppm)

      A     *1     12.0
      B     *1     11.0
      C             8.402
      D             7.774
      E             7.682

     Hz     ppm     Int.

   4793.46  11.995    447
   4411.75  11.040    238
   3358.17   8.403   1000
   3108.15   7.778    623
   3105.77   7.772    687
   3071.34   7.686    586
   3068.95   7.680    524

in DMSO-d6

KBr disc

nujol mull

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