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返回ChemicalBook首页>CAS数据库列表>4919-37-3更多图谱> 4-羟基-3,5-二甲基苯甲酸(4919-37-3)红外图谱(IR2)

4919-37-3

4-羟基-3,5-二甲基苯甲酸(4919-37-3)红外图谱(IR2)

分子式:C9H10O3

分子量: 166.17

InChI:InChI=1S/C9H10O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3,(H,11,12)

InChIKey: OMNHTTWQSSUZHO-UHFFFAOYSA-N

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

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    Mass

    MS-KW-0187          
    4-hydroxy-3,5-dimethylbenzoic acid
    C9H10O3             (Mass of molecular ion:    166)
    

       Source Temperature: 170 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          18.0       2.5
          27.0       2.2
          28.0       1.9
          39.0       5.0
          41.0       2.3
          43.0       3.9
          44.0       2.0
          45.0       2.2
          50.0       1.5
          51.0       4.6
          52.0       1.5
          53.0       4.0
          55.0       1.5
          62.0       1.0
          63.0       2.5
          65.0       4.7
          66.0       1.1
          67.0       1.8
          69.0       4.0
          74.0       1.9
          77.0      12.8
          78.0       2.7
          79.0       2.3
          91.0      11.4
          92.0       1.6
          93.0       4.3
          94.0       1.0
         103.0       4.2
         104.0       1.4
         105.0       1.0
         107.0       7.8
         119.0       1.7
         120.0       3.2
         121.0      60.6
         122.0       9.5
         123.0       1.2
         148.0       2.6
         149.0      48.2
         150.0       5.2
         151.0       5.5
         165.0       8.4
         166.0     100.0
         167.0      10.1
         168.0       1.1
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C9 H10 O3 0.037 g : 0.5 ml DMSO-d6
    4-hydroxy-3,5-dimethylbenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.3 B 9.03 C 7.574 D 2.215

         Hz     ppm     Int.
    

       3608.20   9.029     28
       3027.01   7.575    315
        885.24   2.216   1000
    

in DMSO-d6

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KBr disk

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Nujol

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