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Back ChemicalBook Home>CAS DataBase List>610-81-1More Spectrum> 4-Amino-3-nitrophenol(610-81-1) 1H NMR

4-Amino-3-nitrophenol(610-81-1) 1H NMR

Molecular FormulaC6H6N2O3

Molecular Weight154.12

InChIInChI=1S/C6H6N2O3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H,7H2

InChIKey IQXUIDYRTHQTET-UHFFFAOYSA-N

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


  • Mass

    MS-KW-0093          
    4-amino-3-nitrophenol
    C6H6N2O3            (Mass of molecular ion:    154)
    

       Source Temperature: 130 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          18.0       2.8
          27.0       1.7
          28.0       3.5
          39.0       2.7
          40.0       1.0
          41.0       1.2
          50.0       1.1
          51.0       3.0
          52.0      10.0
          53.0      10.3
          53.5       1.4
          54.0       3.0
          55.0       1.4
          63.0       2.5
          65.0       1.0
          67.0       1.4
          68.0      17.1
          77.0       1.7
          78.0       1.2
          79.0       2.3
          80.0       5.8
          81.0      11.2
          90.0       1.3
          91.0       1.2
          96.0       2.2
         107.0       3.4
         108.0      40.1
         109.0       3.1
         124.0       1.8
         137.0       1.1
         154.0     100.0
         155.0       7.8
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H6 N2 O3 0.035 g : 0.5 ml DMSO-d6
    4-amino-3-nitrophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.31 B 7.330 C 7.08 D 7.047 E 6.954

         Hz     ppm     Int.
    

       3720.25   9.309   1000
       2931.21   7.335    408
       2928.31   7.328    412
       2829.59   7.081    404
       2823.03   7.064    237
       2820.28   7.057    203
       2814.03   7.042    306
       2811.13   7.034    291
       2782.44   6.963    478
       2773.44   6.940    309
    

in CDCl3



KBr disk



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4-Amino-3-nitrophenol(610-81-1) 1H NMR Atlas of Related Products

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