303-07-1

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

Product Name2,6-Dihydroxybenzoic acid

CAS 303-07-1

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

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

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

¹H NMR	89.56 MHz
C₇ H₆ O₄	0.034 g : 0.5 ml DMSO-d₆
2,6-dihydroxybenzoic acid

    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