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100-11-8

對硝基溴化芐(100-11-8)質(zhì)譜(MS)

產(chǎn)品名稱:對硝基溴化芐

CAS:100-11-8

分子式:C7H6BrNO2

分子量: 216.03

InChI:InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2

InChIKey: VOLRSQPSJGXRNJ-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-4792          
4-nitrobenzyl bromide
C7H6BrNO2           (Mass of molecular ion:    215)


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


          28.0       1.4
      30.0      17.7
      38.0       1.7
      39.0       4.6
      40.0       1.0
      50.0       2.6
      51.0       3.7
      52.0       1.4
      62.0       2.8
      63.0       8.1
      64.0       3.7
      77.0       1.4
      78.0      22.7
      79.0       1.5
      89.0      16.8
      90.0      22.7
      91.0       1.8
     106.0      11.5
     107.0       1.0
     120.0       1.3
     136.0     100.0
     137.0       8.4
     169.0       1.1
     171.0       1.1
     215.0       3.5
     217.0       3.6

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C7 H6 Br N O2 0.043 g : 0.5 ml CDCl3
    4-nitrobenzyl bromide
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.191
      B             7.563
      C             4.520
  

         Hz     ppm     Int.


        741.19   8.276     38
    738.81   8.250    355
    736.75   8.227    126
    732.00   8.174    127
    729.88   8.150    492
    727.50   8.124     76
    683.75   7.635     55
    681.31   7.608    461
    679.13   7.583    133
    674.94   7.537     72
    674.50   7.532    106
    672.38   7.508    343
    670.44   7.486     34
    670.00   7.482     46
    404.88   4.521   1000
    402.56   4.495     51

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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