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15128-90-2

3-羟基-6-甲基-2-硝基吡啶(15128-90-2)红外图谱(IR2)

分子式:C6H6N2O3

分子量: 154.12

InChI:InChI=1S/C6H6N2O3/c1-4-2-3-5(9)6(7-4)8(10)11/h2-3,9H,1H3

InChIKey: WZMGQHIBXUAYGS-UHFFFAOYSA-N

Smiles:C1([N+]([O-])=O)=NC(C)=CC=C1O

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    Mass

    MS-IW-0939          
    6-methyl-2-nitro-3-pyridinol
    C6H6N2O3            (Mass of molecular ion:    154)
    

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

          17.0       1.5
          18.0       8.8
          26.0       2.6
          27.0       9.7
          28.0       6.7
          29.0       1.1
          30.0       2.0
          37.0       1.0
          38.0       1.8
          39.0       7.5
          40.0       1.1
          41.0       1.5
          42.0       1.4
          43.0       6.0
          50.0       2.7
          51.0       8.6
          52.0      35.7
          53.0      48.8
          54.0       5.7
          55.0       3.1
          63.0       1.5
          64.0       2.0
          66.0       2.4
          67.0       1.0
          68.0       1.2
          78.0       5.0
          79.0      19.7
          80.0      19.3
          81.0       4.4
          96.0       8.3
         106.0       4.9
         107.0      24.5
         108.0     100.0
         109.0       7.4
         110.0       1.6
         124.0       1.2
         154.0      58.0
         155.0       5.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H6 N2 O3 0.040 g : 0.5 ml CDCl3
    6-methyl-2-nitro-3-pyridinol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.13 B 7.555 C 7.501 D 2.592

         Hz     ppm     Int.
    

       4046.94  10.127    205
       3025.05   7.570    131
       3016.66   7.549    263
       3013.76   7.542     21
       3000.95   7.509    239
       2992.40   7.488    122
       1036.07   2.593   1000
    

in CDCl3

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KBr disc

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nujol mull

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