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3-甲氧基苯甲酸(586-38-9)红外图谱(IR2)

产品名称:3-甲氧基苯甲酸

CAS:586-38-9

分子式:C8H8O3

分子量: 152.15

InChI:InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey: XHQZJYCNDZAGLW-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=CC(OC)=C1


  • Mass

    MS-NW-6184          
    m-anisic acid
    C8H8O3              (Mass of molecular ion:    152)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       1.6
          18.0       2.5
          27.0       2.8
          29.0       1.2
          37.0       1.7
          38.0       4.5
          39.0       6.8
          44.0       1.3
          45.0       2.0
          50.0       5.4
          51.0       3.9
          52.0       1.4
          53.0       5.1
          55.0       1.0
          61.0       1.2
          62.0       2.7
          63.0       9.9
          64.0       9.0
          65.0      10.1
          66.0       1.3
          74.0       2.5
          75.0       2.5
          76.0       3.8
          77.0      16.2
          78.0       4.0
          79.0       4.6
          81.0      11.2
          92.0       9.9
          93.0       1.9
          94.0       1.1
         104.0       1.2
         105.0      12.0
         106.0       1.8
         107.0      15.8
         108.0       2.0
         109.0       3.1
         119.0       1.1
         121.0       1.4
         122.0       4.0
         123.0       1.0
         135.0      33.0
         136.0       3.2
         137.0       2.9
         151.0       4.7
         152.0     100.0
         153.0       9.1
         154.0       1.1
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H8 O3 0.042 g : 0.5 ml CDCl3
    m-anisic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.71 B 7.718 C 7.63 D 7.364 E 7.157 F 3.855

         Hz     ppm     Int.
    

       1138.70  12.715    103
        697.27   7.786     32
        695.81   7.770     70
        694.45   7.755     47
        689.92   7.704     45
        688.46   7.688    107
        687.10   7.672     78
        684.88   7.648     72
        683.85   7.636     53
        682.31   7.619     79
        681.29   7.608     57
        668.38   7.463     46
        667.87   7.458     48
        660.27   7.373     99
        659.75   7.367     86
        652.92   7.291     65
        652.32   7.284     63
        645.48   7.208     64
        644.12   7.193     72
        642.83   7.178     61
        641.55   7.164     61
        637.28   7.116     32
        634.63   7.087     31
        345.21   3.855   1000
    

in CDCl3



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