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Back ChemicalBook Home>CAS DataBase List>303-07-1More Spectrum> 2,6-Dihydroxybenzoic acid (303-07-1) IR2

2,6-Dihydroxybenzoic acid (303-07-1) IR2

Molecular FormulaC7H6O4

Molecular Weight154.12

InChIInChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)

InChIKey AKEUNCKRJATALU-UHFFFAOYSA-N

SmilesC(O)(=O)C1=C(O)C=CC=C1O


  • Mass

    MS-NW-3568          
    2,6-dihydroxybenzoic acid
    C7H6O4              (Mass of molecular ion:    154)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       2.0
          18.0       9.8
          26.0       2.7
          27.0       6.9
          28.0       5.5
          29.0       4.2
          37.0       3.7
          38.0       6.2
          39.0      15.8
          40.0       2.9
          41.0       3.0
          42.0       2.3
          43.0       1.1
          44.0       7.6
          45.0       3.4
          49.0       1.8
          50.0       5.6
          51.0      11.9
          52.0      25.8
          53.0       9.0
          54.0       5.4
          55.0       6.0
          61.0       2.0
          62.0       3.2
          63.0       6.3
          64.0       1.9
          65.0       1.2
          66.0       1.8
          67.0       1.2
          68.0       2.0
          69.0       7.4
          77.0       1.7
          79.0       7.6
          80.0      20.3
          81.0       7.3
          82.0       3.2
          91.0       1.2
          95.0       1.8
         107.0       7.9
         108.0      90.7
         109.0       6.6
         110.0      16.0
         111.0       1.2
         136.0     100.0
         137.0      10.2
         138.0       1.1
         154.0      58.4
         155.0       4.8
    

90 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C7 H6 O4 0.034 g : 0.5 ml DMSO-d6
    2,6-dihydroxybenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.95 B 7.242 C 6.381 A-PEAK INCLUDES H2O.

         Hz     ppm     Int.
    

        900.39  10.054     68
        891.21   9.951   1000
        882.32   9.852     66
        657.71   7.344    207
        649.90   7.257    307
        649.12   7.248    280
        641.31   7.161    299
        575.00   6.421    934
        570.41   6.370     65
        566.99   6.331    699
    

in DMSO-d6



KBr disc



nujol mull





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