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Back ChemicalBook Home>CAS DataBase List>60956-26-5More Spectrum> 4-Bromo-2-nitrotoluene(60956-26-5) 1H NMR

4-Bromo-2-nitrotoluene(60956-26-5) 1H NMR

Molecular FormulaC7H6BrNO2

Molecular Weight216.03

InChIInChI=1S/C7H6BrNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3

InChIKey KZNXALJXBRSMFL-UHFFFAOYSA-N

SmilesC1(C)=CC=C(Br)C=C1[N+]([O-])=O


  • Mass

    MS-IW-9443          
    4-bromo-2-nitrotoluene
    C7H6BrNO2           (Mass of molecular ion:    215)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.9
          28.0       3.7
          29.0       1.0
          30.0       3.1
          37.0       2.6
          38.0       5.7
          39.0      18.4
          40.0       2.2
          43.0       1.9
          44.0       1.6
          49.0       1.3
          50.0       8.0
          51.0      10.8
          52.0       2.9
          53.0       1.0
          61.0       3.6
          62.0      11.0
          63.0      36.0
          64.0      10.2
          65.0       2.8
          74.0       3.8
          75.0       4.6
          76.0       2.4
          77.0       9.5
          78.0      20.4
          79.0       1.7
          85.0       1.4
          86.0       2.8
          87.0       2.9
          88.0       2.7
          89.0      64.6
          90.0     100.0
          91.0      33.3
          92.0       4.4
         106.0       1.5
         117.0       2.4
         118.0       3.0
         119.0      26.5
         120.0       2.2
         143.0       7.3
         145.0       7.0
         157.0       1.2
         168.0       3.3
         169.0      12.8
         170.0      19.9
         171.0      14.8
         172.0      16.6
         173.0       2.6
         198.0      72.5
         199.0       6.6
         200.0      71.0
         201.0       6.2
         215.0      24.6
         216.0       2.1
         217.0      23.8
         218.0       2.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H6 Br N O2 0.039 g : 0.5 ml CDCl3
    4-bromo-2-nitrotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.113 B 7.620 C 7.238 D 2.556

         Hz     ppm     Int.
    

       3243.65   8.117    235
       3241.46   8.111    235
       3050.90   7.634    130
       3048.83   7.629    128
       3042.72   7.614    145
       3040.65   7.609    141
       2896.85   7.249    161
       2896.12   7.247    162
       2888.67   7.229    143
       2887.94   7.227    147
       1021.85   2.557    997
       1021.48   2.556   1000
    

in CDCl3



KBr disc



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4-Bromo-2-nitrotoluene(60956-26-5) 1H NMR Atlas of Related Products

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