5411-50-7

3,4-二溴硝基苯(5411-50-7)红外图谱(IR2)

产品名称:3,4-二溴硝基苯

CAS:5411-50-7

分子式:C6H3Br2NO2

分子量: 280.9

InChI:InChI=1S/C6H3Br2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

InChIKey: DLLDRYLYVHKDKK-UHFFFAOYSA-N

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

Mass

MS-IW-3909          
1,2-dibromo-4-nitrobenzene
C6H3Br2NO2          (Mass of molecular ion:    279)

   Source Temperature: 180 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       3.7
      30.0      20.9
      36.0       1.2
      37.0       8.0
      38.0       5.1
      49.0       5.2
      50.0       8.8
      51.0       1.3
      60.0       1.0
      61.0       4.0
      62.0       4.7
      63.0       9.0
      72.0       1.0
      73.0      12.6
      74.0      68.5
      75.0      84.9
      76.0       6.7
      77.0       1.9
      78.0       1.7
      79.0       1.8
      80.0       2.2
      81.0       1.8
      82.0       2.0
     117.0       1.6
     118.0       1.1
     119.0       1.4
     128.0       4.5
     129.0       1.0
     130.0       4.5
     142.0       1.7
     143.0       1.1
     144.0       1.5
     153.0      20.3
     154.0      36.5
     155.0      22.4
     156.0      34.4
     157.0       3.0
     170.0       2.4
     172.0       1.9
     221.0      19.0
     222.0       1.1
     223.0      36.6
     224.0       2.1
     225.0      18.1
     226.0       1.0
     233.0      29.5
     234.0       2.6
     235.0      56.9
     236.0       4.2
     237.0      27.9
     238.0       1.9
     249.0      11.5
     251.0      22.6
     252.0       1.5
     253.0      11.0
     265.0       1.6
     279.0      51.2
     280.0       3.7
     281.0     100.0
     282.0       7.1
     283.0      49.0
     284.0       3.5

parameter in CDCl3

¹H NMR	300 MHz
C₆ H₃ Br₂ N O₂	0.036 g : 0.5 ml CDCl₃
1,2-dibromo-4-nitrobenzene

    Parameter     ppm  Hz

      D(A)         8.482
      D(B)         8.037
      D(C)         7.826
       J(A,B)          2.7
       J(A,C)          0.0
       J(B,C)          8.8

     Hz     ppm     Int.

   2545.96   8.487    877
   2543.28   8.478    912
   2417.13   8.057    397
   2414.45   8.048    379
   2408.33   8.028    519
   2405.65   8.019    502
   2351.89   7.840   1000
   2343.11   7.810    759

in CDCl3