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Back ChemicalBook Home>CAS DataBase List>619-73-8More Spectrum> 4-Nitrobenzyl alcohol(619-73-8) 1H NMR

4-Nitrobenzyl alcohol(619-73-8) 1H NMR

Molecular FormulaC7H7NO3

Molecular Weight153.14

InChIInChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2

InChIKey JKTYGPATCNUWKN-UHFFFAOYSA-N

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


  • Mass

    MS-NW-1714          
    4-nitrobenzyl alcohol
    C7H7NO3             (Mass of molecular ion:    153)
    

       Source Temperature: 150 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       2.9
          26.0       1.4
          27.0       9.2
          28.0       4.9
          29.0       8.3
          30.0       8.6
          31.0      10.7
          37.0       2.4
          38.0       5.1
          39.0      17.9
          40.0       2.2
          41.0       7.8
          43.0       1.0
          46.0       1.6
          49.0       1.4
          50.0      21.1
          51.0      38.5
          52.0      10.0
          53.0      10.0
          55.0       3.1
          61.0       2.0
          62.0       5.2
          63.0      14.5
          64.0       3.9
          65.0       4.7
          66.0       4.2
          67.0       4.3
          69.0       1.3
          73.0       1.7
          74.0       7.7
          75.0       6.3
          76.0       8.4
          77.0     100.0
          78.0      36.3
          79.0      26.5
          80.0       1.9
          86.0       1.0
          87.0       1.1
          89.0      43.1
          90.0       5.5
          91.0       1.6
          92.0       1.7
          94.0       6.6
          95.0       2.0
         104.0       1.6
         105.0      11.3
         106.0      23.3
         107.0      47.6
         108.0      17.9
         109.0       1.3
         122.0       1.7
         124.0       6.6
         125.0       2.0
         136.0      15.7
         137.0       3.3
         150.0       1.3
         152.0       5.1
         153.0      44.7
         154.0       3.7
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H7 N O3 0.040 g : 0.5 ml CDCl3
    4-nitrobenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.18 B 7.52 C 4.82 D 2.41

         Hz     ppm     Int.
    

        739.63   8.259     90
        737.38   8.234    756
        735.31   8.211    274
        732.25   8.177     43
        730.56   8.158    273
        728.44   8.134   1000
        726.19   8.109    177
        723.88   8.083     39
        680.44   7.598     61
        679.69   7.590    116
        678.19   7.573    435
        677.50   7.565    871
        676.75   7.557    615
        675.38   7.542    270
        674.63   7.533    157
        671.38   7.497    123
        670.56   7.488    213
        669.25   7.473    479
        668.50   7.465    661
        667.75   7.456    338
        666.25   7.440    102
        665.50   7.431     65
        433.25   4.838    391
        430.00   4.802    421
        424.56   4.741     42
        215.56   2.407    421
    

in CDCl3



KBr disc



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4-Nitrobenzyl alcohol(619-73-8) 1H NMR Atlas of Related Products

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