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4-羟基苯乙酸甲酯(14199-15-6)红外图谱(IR1)

分子式:C9H10O3

分子量: 166.17

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

InChIKey: XGDZEDRBLVIUMX-UHFFFAOYSA-N

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


  • Mass

    MS-IW-7576          
    methyl (p-hydroxyphenyl)acetate
    C9H10O3             (Mass of molecular ion:    166)
    

       Source Temperature: 140 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          39.0       1.3
          51.0       2.2
          52.0       1.3
          53.0       1.5
          59.0       1.1
          77.0       6.8
          78.0       2.5
          79.0       1.2
         106.0       1.0
         107.0     100.0
         108.0       8.0
         166.0      40.0
         167.0       4.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H10 O3 0.042 g : 0.5 ml CDCl3
    methyl (p-hydroxyphenyl)acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.081 B 6.723 C 6.46 D 3.693 E 3.552

         Hz     ppm     Int.
    

       2834.59   7.093    157
       2832.52   7.088     56
       2828.13   7.077     57
       2825.93   7.072    185
       2823.12   7.064     23
       2693.97   6.741     26
       2691.04   6.734    221
       2688.96   6.729     72
       2684.57   6.718     65
       2682.37   6.712    204
       2679.57   6.705     23
       2581.42   6.460     90
       1476.20   3.694   1000
       1419.80   3.553    361
    

in CDCl3



KBr disc



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