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Back ChemicalBook Home>CAS DataBase List>74367-78-5More Spectrum> 3,5-DINITROBENZYL CHLORIDE(74367-78-5) 13C NMR

74367-78-5

3,5-DINITROBENZYL CHLORIDE(74367-78-5) 13C NMR

Molecular FormulaC7H5ClN2O4

Molecular Weight216.58

InChIInChI=1S/C7H5ClN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2

InChIKey SMJODKZAFKWUJG-UHFFFAOYSA-N

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

  • 3,5-DINITROBENZYL CHLORIDE(74367-78-5) <sup>13</sup>C NMR
    Mass

    MS-NW-7259          
    3,5-dinitrobenzyl chloride
    C7H5ClN2O4          (Mass of molecular ion:    216)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          28.0       2.1
          30.0      24.5
          37.0       1.5
          38.0       3.2
          39.0      12.3
          46.0       1.0
          49.0       1.7
          50.0       4.8
          51.0       7.7
          52.0       1.6
          61.0       2.4
          62.0      10.5
          63.0      26.9
          64.0       2.5
          65.0       1.5
          73.0       4.5
          74.0       2.6
          75.0      10.0
          76.0       2.4
          77.0       8.3
          78.0       1.1
          85.0       1.7
          86.0       3.1
          87.0       4.6
          88.0       4.2
          89.0      32.0
          90.0       2.8
          97.0       1.2
         105.0      11.2
         106.0       1.1
         112.0       1.3
         123.0      27.0
         124.0      17.3
         125.0      10.2
         126.0       6.0
         134.0       1.0
         135.0       6.5
         140.0       6.4
         142.0       2.2
         169.0       2.5
         170.0      12.6
         171.0       1.8
         172.0       4.2
         181.0     100.0
         182.0       8.8
         183.0       1.2
         199.0       4.4
         200.0       1.2
         201.0       1.6
         216.0      47.1
         217.0       4.3
         218.0      16.1
         219.0       1.4
    

90 MHz in CDCl3

  • 3,5-DINITROBENZYL CHLORIDE(74367-78-5) <sup>13</sup>C NMR

    1H NMR 89.56 MHz
    C7 H5 Cl N2 O4 0.042 g : 0.5 ml CDCl3
    3,5-dinitrobenzyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.003 B 8.622 C 4.785 J(A,B)=2.1HZ J(B,C)=1.0HZ

         Hz     ppm     Int.
    

        810.88   9.055     27
        810.50   9.050     30
        808.50   9.028    166
        806.44   9.005    310
        804.38   8.982    186
        802.56   8.962     27
        777.31   8.680     36
        773.06   8.632    672
        771.00   8.609    584
        428.81   4.788   1000
        428.38   4.784    932
    

in CDCl3

  • 3,5-DINITROBENZYL CHLORIDE(74367-78-5) <sup>13</sup>C NMR

KBr disc

  • 3,5-DINITROBENZYL CHLORIDE(74367-78-5) <sup>13</sup>C NMR

nujol mull

  • 3,5-DINITROBENZYL CHLORIDE(74367-78-5) <sup>13</sup>C NMR

3,5-DINITROBENZYL CHLORIDE(74367-78-5) 13C NMR Atlas of Related Products

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