3460-18-2

2,5-二溴硝基苯(3460-18-2)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):2,5-二溴硝基苯

CAS:3460-18-2

分子式:C6H3Br2NO2

分子量: 280.9

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

InChIKey: WRGKKASJBOREMB-UHFFFAOYSA-N

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

Mass

MS-NW-1241          
1,4-dibromo-2-nitrobenzene
C6H3Br2NO2          (Mass of molecular ion:    279)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.3
      28.0       2.6
      30.0      40.3
      36.0       1.7
      37.0      11.0
      38.0       9.0
      39.0       1.3
      46.0       1.3
      49.0       5.5
      50.0      12.4
      51.0       1.6
      60.0       1.1
      61.0       4.5
      62.0       5.1
      63.0      14.3
      64.0       1.7
      72.0       1.0
      73.0      11.4
      74.0      66.5
      75.0      90.5
      76.0       7.9
      77.0       1.7
      78.0       1.5
      79.0       1.3
      81.0       1.2
      88.0       1.0
     104.0       1.1
     106.0       1.0
     117.0       2.7
     119.0       2.5
     128.0       4.2
     129.0       1.3
     130.0       4.2
     131.0       1.3
     142.0       1.9
     143.0       1.0
     144.0       2.0
     153.0      18.5
     154.0      37.1
     155.0      20.4
     156.0      35.8
     157.0       2.8
     170.0      15.9
     171.0       1.3
     172.0      17.3
     173.0       1.3
     174.0       2.1
     200.0       6.7
     202.0       6.6
     221.0      23.7
     222.0       1.4
     223.0      45.6
     224.0       2.7
     225.0      22.8
     226.0       1.3
     233.0      33.0
     234.0       2.7
     235.0      63.8
     236.0       4.6
     237.0      30.7
     238.0       2.1
     249.0       2.6
     251.0       5.5
     253.0       2.6
     265.0       1.2
     279.0      50.7
     280.0       3.8
     281.0     100.0
     282.0       7.2
     283.0      48.9
     284.0       3.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₃ Br₂ N O₂	0.043 g : 0.5 ml CDCl₃
1,4-dibromo-2-nitrobenzene

    Assign.     Shift(ppm)

      A             7.982
      B             7.62
      C             7.55

     Hz     ppm     Int.

    716.19   7.997    205
    715.38   7.988    232
    714.44   7.978    228
    713.63   7.969    243
    689.06   7.694     24
    688.25   7.685     53
    680.50   7.599    577
    679.75   7.590   1000
    678.00   7.571    501
    671.25   7.495     30
    669.50   7.476     47

in CDCl3