99-10-5

3,5-Dihydroxybenzoic acid(99-10-5) MS

Product Name3,5-Dihydroxybenzoic acid

CAS 99-10-5

Molecular FormulaC7H6O4

Molecular Weight154.12

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

InChIKey UYEMGAFJOZZIFP-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC(O)=CC(O)=C1

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3,5-Dihydroxybenzoic acid(99-10-5) MS
Mass

MS-NW-1782          
3,5-dihydroxybenzoic acid
C7H6O4              (Mass of molecular ion:    154)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       2.9
      26.0       1.7
      27.0       7.2
      28.0       3.0
      29.0       3.5
      37.0       2.3
      38.0       4.6
      39.0       7.0
      40.0       1.1
      41.0       2.9
      42.0       2.2
      43.0       2.2
      44.0       1.7
      45.0       2.1
      49.0       1.1
      50.0       4.0
      51.0       7.5
      52.0       5.0
      53.0       7.5
      54.0       2.5
      55.0       3.3
      61.0       1.6
      62.0       2.8
      63.0       6.4
      64.0       1.2
      66.0       1.4
      68.5       1.3
      69.0      19.3
      71.0       1.0
      79.0       2.4
      80.0       3.3
      81.0      13.2
      82.0       1.5
      97.0       2.8
     108.0       5.3
     109.0      26.1
     110.0       2.3
     125.0       1.7
     126.0       3.7
     136.0       2.7
     137.0      57.5
     138.0       4.6
     154.0     100.0
     155.0       8.1
     156.0       1.1

90 MHz in DMSO-d6

3,5-Dihydroxybenzoic acid(99-10-5) MS

¹H NMR	89.56 MHz
C₇ H₆ O₄	0.036 g : 0.5 ml DMSO-d₆
3,5-dihydroxybenzoic acid

    Assign.     Shift(ppm)

      A            12.6
      B             9.6
      C             6.845
      D             6.457
     
     J(C,D)=2.3HZ

     Hz     ppm     Int.

    855.69   9.555     58
    614.21   6.859    900
    611.90   6.833   1000
    580.37   6.481    259
    578.15   6.456    425
    575.84   6.430    204

in DMSO-d6