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3-Hydroxybenzoic acid

CAS99-06-9

MFC7H6O3

MW138.12

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  • Mass

    MS-NW-9310          
    m-hydroxybenzoic acid
    C7H6O3              (Mass of molecular ion:    138)
    

       Source Temperature: 160 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          17.0       1.2
          18.0       6.6
          27.0       1.6
          28.0       1.0
          37.0       1.4
          38.0       3.2
          39.0      13.5
          40.0       1.4
          45.0       1.1
          46.0       1.6
          50.0       1.7
          51.0       1.2
          53.0       3.7
          55.0       3.7
          60.5       1.1
          61.0       1.2
          62.0       2.4
          63.0       5.7
          64.0       3.8
          65.0      20.0
          66.0       2.8
          81.0       2.2
          92.0       3.7
          93.0      36.3
          94.0       2.7
         110.0       2.0
         120.0       2.3
         121.0      86.5
         122.0       6.7
         138.0     100.0
         139.0       8.2
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C7 H6 O3 0.043 g : 0.5 ml DMSO-d6
    m-hydroxybenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 12.5 B *1 10.0 C 7.41 D 7.40 E 7.35 F 7.035

         Hz     ppm     Int.
    

        671.55   7.499     39
        670.01   7.482     80
        669.67   7.478     84
        668.13   7.461    107
        666.76   7.445     26
        663.09   7.404   1000
        661.04   7.381    823
        654.11   7.304    335
        653.09   7.293    196
        647.11   7.226    118
        646.08   7.214    123
        634.72   7.088    211
        632.84   7.067    276
        632.24   7.060    208
        630.19   7.037    180
        627.28   7.005    123
        625.40   6.984    146
        622.92   6.956     94
    


  • 1H NMR 399.65 MHz
    C7 H6 O3 0.038 g : 0.5 ml DMSO-d6
    m-hydroxybenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.9 B 9.8 C 7.420 D 7.390 E 7.314 F 7.032

         Hz     ppm     Int.
    

       5144.59  12.873     42
       3911.52   9.788     45
       2971.33   7.435    333
       2970.23   7.433    553
       2969.13   7.430    426
       2963.82   7.417    465
       2962.72   7.414    785
       2961.44   7.411    577
       2955.57   7.396    780
       2953.19   7.390    846
       2951.54   7.386    604
       2946.42   7.373     32
       2945.50   7.371     31
       2945.13   7.370     31
       2944.40   7.368     30
       2934.88   7.344     37
       2930.48   7.333    616
       2926.82   7.324     67
       2922.79   7.314   1000
       2918.21   7.302     57
       2917.84   7.301     58
       2914.91   7.294    536
       2816.00   7.047    430
       2815.09   7.044    499
       2813.44   7.040    441
       2812.52   7.038    451
       2807.94   7.026    391
       2807.03   7.024    418
       2805.56   7.021    399
       2804.46   7.018    376
    

in DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder