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16867-03-1

2-氨基-3-羟基吡啶(16867-03-1)质谱(MS)

分子式:C5H6N2O

分子量: 110.11

InChI:InChI=1S/C5H6N2O/c6-5-4(8)2-1-3-7-5/h1-3,8H,(H2,6,7)

InChIKey: BMTSZVZQNMNPCT-UHFFFAOYSA-N

Smiles:C1(N)=NC=CC=C1O

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    Mass

    MS-NW-9487          
    2-amino-3-pyridinol
    C5H6N2O             (Mass of molecular ion:    110)
    

       Source Temperature: 210 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.4
          26.0       1.5
          27.0       2.2
          28.0       8.4
          29.0       2.2
          37.0       1.6
          38.0       6.9
          39.0       8.6
          40.0       1.6
          41.0       4.4
          42.0       1.2
          43.0       2.8
          52.0       2.5
          53.0       3.3
          54.0      10.4
          55.0      24.1
          56.0       2.9
          64.0       2.5
          65.0       9.0
          66.0       1.8
          68.0       1.4
          81.0       4.3
          82.0      11.5
          83.0       5.5
          93.0       3.0
         110.0     100.0
         111.0      15.3
         112.0       1.1
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C5 H6 N2 O 0.029 g : 0.5 ml DMSO-d6
    2-amino-3-pyridinol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.5 B 7.427 C 6.842 D 6.402 E 5.46 J(B,C)=1.2HZ J(B,D)=5.0HZ J(C,D)=7.6HZ

         Hz     ppm     Int.
    

       2971.80   7.437    812
       2970.58   7.433    940
       2966.77   7.424    876
       2965.55   7.421    950
       2739.26   6.855    818
       2737.88   6.851    932
       2731.63   6.836    917
       2730.26   6.832   1000
       2722.32   6.812     27
       2565.16   6.419    854
       2560.12   6.406    886
       2557.53   6.400    871
       2552.64   6.388    787
       2178.50   5.452    456
    

in DMSO-d6

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KBr disc

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nujol mull

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