303-07-1

2,6-二羥基苯甲酸(303-07-1)質(zhì)譜(MS)

產(chǎn)品名稱:2,6-二羥基苯甲酸

CAS:303-07-1

分子式:C7H6O4

分子量: 154.12

InChI:InChI=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

Smiles:C(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

    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