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Back ChemicalBook Home>CAS DataBase List>123-30-8More Spectrum> 4-Aminophenol(123-30-8) IR1

4-Aminophenol(123-30-8) IR1

Product Name4-Aminophenol

CAS123-30-8

Molecular FormulaC6H7NO

Molecular Weight109.13

InChIInChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

InChIKey PLIKAWJENQZMHA-UHFFFAOYSA-N

SmilesC1(O)=CC=C(N)C=C1


  • Mass

    MS-NW-1627          
    p-aminophenol
    C6H7NO              (Mass of molecular ion:    109)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          17.0       1.4
          18.0       6.6
          26.0       3.5
          27.0       5.4
          28.0       1.7
          29.0       1.0
          37.0       1.2
          38.0       1.8
          39.0       5.0
          40.0       1.9
          40.5       1.0
          41.0       2.6
          42.0       1.3
          44.0       1.1
          50.0       2.1
          51.0       3.6
          52.0      13.7
          53.0      16.7
          54.0       7.1
          54.5       4.8
          55.0       3.3
          61.0       1.0
          62.0       1.4
          63.0       2.6
          64.0       2.6
          65.0       2.4
          66.0       1.0
          68.0       1.3
          79.0       2.9
          80.0      37.3
          81.0      11.1
          82.0       3.7
          91.0       1.0
         107.0      11.0
         108.0      13.1
         109.0     100.0
         110.0       7.0
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H7 N O 0.038 g : 0.5 ml DMSO-d6
    p-aminophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.36 B 6.485 C 6.426 D 4.36

         Hz     ppm     Int.
    

       3340.82   8.360     78
       2600.34   6.507     65
       2597.29   6.499    516
       2594.97   6.494    217
       2590.82   6.483    305
       2588.50   6.477   1000
       2585.45   6.470    160
       2574.58   6.443    162
       2571.66   6.435    993
       2569.09   6.429    286
       2565.06   6.419    227
       2562.74   6.413    493
       2559.69   6.405     67
       1742.31   4.360    194
    

in DMSO-d6



KBr disc



nujol mull





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