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100-11-8

对硝基溴化苄(100-11-8)红外图谱(IR1)

产品名称:对硝基溴化苄

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

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    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

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    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

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KBr disc

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nujol mull

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4880 A,200 M,powder

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