827-94-1

2,6-二溴-4-硝基苯胺(827-94-1)质谱(MS)

产品名称:2,6-二溴-4-硝基苯胺

CAS:827-94-1

分子式:C6H4Br2N2O2

分子量: 295.92

InChI:InChI=1S/C6H4Br2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2

InChIKey: YMZIFDLWYUSZCC-UHFFFAOYSA-N

Smiles:C1(N)=C(Br)C=C([N+]([O-])=O)C=C1Br

Mass

MS-IW-8373          
2,6-dibromo-4-nitroaniline
C6H4Br2N2O2         (Mass of molecular ion:    294)

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

      28.0       2.7
      30.0       3.2
      37.0       2.4
      38.0       2.4
      39.0       3.5
      44.0       1.3
      44.5       4.3
      45.0       1.7
      50.0       1.7
      51.0       2.2
      52.0      10.1
      53.0       1.2
      60.0       1.1
      61.0       8.2
      62.0      16.1
      63.0      18.6
      64.0       2.2
      65.0       2.9
      74.0       1.7
      76.0       1.9
      77.0       1.3
      78.0       4.7
      80.0       2.2
      82.0       2.1
      84.5       2.0
      85.5       1.6
      87.0       1.5
      88.0       3.9
      89.0      15.5
      90.0      30.5
      91.0       2.4
     117.0       1.9
     118.0       1.1
     119.0       2.6
     141.0       3.5
     142.0       2.2
     143.0       3.6
     144.0       1.6
     156.0       1.1
     157.0       1.1
     158.0       1.5
     159.0       1.1
     168.0      39.4
     169.0      16.5
     170.0      39.5
     171.0      15.9
     172.0       1.0
     185.0       1.5
     186.0       1.0
     187.0       1.0
     221.0       3.9
     223.0       7.0
     225.0       3.3
     236.0       3.1
     238.0       5.9
     240.0       3.0
     248.0      15.0
     249.0       2.4
     250.0      28.8
     251.0       2.8
     252.0      14.3
     253.0       1.0
     264.0      27.9
     265.0       2.1
     266.0      53.9
     267.0       4.1
     268.0      26.5
     269.0       1.9
     278.0       1.2
     280.0       2.3
     282.0       1.1
     294.0      51.1
     295.0       4.3
     296.0     100.0
     297.0       7.9
     298.0      49.4
     299.0       3.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₄ Br₂ N₂ O₂	0.033 g : 0.5 ml DMSO-d₆
2,6-dibromo-4-nitroaniline

    Assign.     Shift(ppm)

      A             8.276
      B             6.78

     Hz     ppm     Int.

   3307.74   8.277   1000
   2710.57   6.783    242

in DMSO-d6

KBr disc

nujol mull

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