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1798-09-0

3-甲氧基苯乙酸(1798-09-0)红外图谱(IR2)

产品名称:3-甲氧基苯乙酸

CAS:1798-09-0

分子式:C9H10O3

分子量: 166.17

InChI:InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChIKey: LEGPZHPSIPPYIO-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6620          
    m-methoxyphenylacetic acid
    C9H10O3             (Mass of molecular ion:    166)
    

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

          15.0       1.7
          18.0       3.1
          27.0       2.6
          28.0       2.6
          29.0       1.1
          38.0       2.5
          39.0       8.1
          41.0       2.3
          44.0       1.1
          45.0       2.8
          50.0       4.5
          51.0       9.9
          52.0       5.3
          53.0       2.2
          55.0       1.7
          62.0       2.4
          63.0       5.4
          64.0       1.8
          65.0       7.4
          66.0       1.4
          67.0       1.4
          74.0       1.1
          76.0       1.1
          77.0      17.2
          78.0      13.3
          79.0       6.3
          89.0       5.0
          90.0       3.8
          91.0      36.1
          92.0       5.9
          93.0       1.3
          95.0       1.2
         105.0       2.5
         106.0       3.9
         107.0       7.4
         119.0       1.0
         120.0       1.5
         121.0     100.0
         122.0      17.2
         123.0       2.6
         148.0       5.9
         166.0      84.2
         167.0       9.1
         168.0       1.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H10 O3 0.045 g : 0.5 ml CDCl3
    m-methoxyphenylacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.26 B 7.215 C 6.89 to 6.77 D 3.777 E 3.600

         Hz     ppm     Int.
    

       1008.64  11.263     31
        656.16   7.327     24
        648.22   7.238     49
        647.02   7.225     47
        640.01   7.147     57
        639.25   7.138     34
        617.37   6.894     58
        616.09   6.880     73
        613.53   6.851     98
        612.59   6.840    101
        611.39   6.827     79
        610.79   6.820     66
        609.51   6.806    116
        607.29   6.781     46
        605.92   6.766     28
        338.38   3.779   1000
        322.49   3.601    298
    

in CDCl3

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KBr disc

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nujol mull

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