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38116-61-9

2-羟基-6-甲基烟酸(38116-61-9)Raman光谱

分子式:C7H7NO3

分子量: 153.14

InChI:InChI=1S/C7H7NO3/c1-4-2-3-5(7(10)11)6(9)8-4/h2-3H,1H3,(H,8,9)(H,10,11)

InChIKey: XRIHTJYXIHOBDQ-UHFFFAOYSA-N

Smiles:C1(=O)NC(C)=CC=C1C(O)=O

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    Mass

    MS-IW-4058          
    2-hydroxy-6-methyl-3-pyridinecarboxylic acid
    C7H7NO3             (Mass of molecular ion:    153)
    

       Source Temperature: 130 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          15.0       1.8
          18.0       3.1
          26.0       1.2
          27.0       5.7
          28.0       4.9
          29.0       1.0
          32.5       1.1
          37.0       4.2
          38.0       8.8
          39.0      16.4
          40.0       3.7
          41.0       4.1
          42.0      17.9
          43.0       1.6
          44.0       1.6
          45.0       2.3
          48.5       1.6
          50.0       3.0
          51.0       5.3
          52.0      14.0
          53.0      23.6
          53.5       1.0
          54.0       4.0
          55.0       2.4
          60.5       3.8
          61.0       1.2
          62.0       1.8
          62.5       1.9
          63.0       3.8
          64.0       4.3
          65.0       3.7
          66.0       5.1
          67.0       1.6
          68.0       3.5
          78.0       3.4
          79.0      14.8
          80.0      40.5
          81.0      10.7
          91.0       2.1
          92.0       1.3
         106.0       3.4
         107.0      17.9
         108.0      24.9
         109.0     100.0
         110.0       7.3
         120.0       4.8
         135.0       3.4
         136.0      12.7
         137.0       1.0
         153.0      61.0
         154.0       6.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C7 H7 N O3 0.036 g : 0.5 ml DMSO-d6
    2-hydroxy-6-methyl-3-pyridinecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 14. B *1 13.3 C 8.275 D 6.544 E 2.392 J(C,D)=7.3HZ

         Hz     ppm     Int.
    

       5316.41  13.303     34
       3311.28   8.286    251
       3303.96   8.268    258
       2619.38   6.555    154
       2611.82   6.536    152
        956.05   2.393   1000
        944.58   2.364     22
    

in DMSO-d6

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KBr disc

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nujol mull

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