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19438-10-9

3-羟基苯甲酸甲酯(19438-10-9)红外图谱(IR1)

分子式:C8H8O3

分子量: 152.15

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

InChIKey: YKUCHDXIBAQWSF-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1553          
    methyl m-hydroxybenzoate
    C8H8O3              (Mass of molecular ion:    152)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       5.6
          27.0       1.0
          29.0       2.7
          37.0       1.8
          38.0       5.7
          39.0      22.5
          50.0       2.7
          51.0       1.9
          53.0       4.5
          59.0       1.1
          61.0       1.8
          62.0       4.2
          63.0      11.6
          64.0       6.9
          65.0      33.2
          66.0       3.1
          74.0       1.6
          75.0       1.2
          92.0       4.8
          93.0      41.8
          94.0       4.8
          95.0       1.5
         107.0       1.4
         121.0     100.0
         122.0       8.3
         123.0       1.0
         152.0      49.2
         153.0       4.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H8 O3 0.041 g : 0.5 ml CDCl3
    methyl m-hydroxybenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.61 B 7.60 C 7.300 D 7.089 E 6.31 F 3.918

         Hz     ppm     Int.
    

        684.63   7.645     75
        683.69   7.634     98
        682.06   7.616     81
        681.25   7.607     88
        679.63   7.589     84
        678.31   7.574     75
        676.88   7.558    111
        675.38   7.542     43
        662.06   7.393     63
        654.06   7.304    127
        646.25   7.216     72
        639.31   7.139     57
        637.81   7.122     64
        636.81   7.111     54
        635.38   7.095     53
        567.06   6.332     43
        564.31   6.301     83
        350.88   3.918   1000
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,150M,powder

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