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3724-10-5

2-(甲基硫代)苯甲酸(3724-10-5)红外图谱(IR2)

分子式:C8H8O2S

分子量: 168.21

InChI:InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey: LWJQGKJCZOGGPJ-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=CC=C1SC

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    Mass

    MS-IW-2685          
    o-(methylthio)benzoic acid
    C8H8O2S             (Mass of molecular ion:    168)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          17.0       1.3
          18.0       6.5
          27.0       1.5
          37.0       1.5
          38.0       2.7
          39.0      11.0
          44.0       2.2
          45.0      28.2
          46.0       3.7
          47.0       4.2
          49.0       1.1
          50.0      10.6
          51.0      12.3
          52.0       3.4
          53.0       5.1
          57.0       1.0
          58.0       2.9
          61.0       2.4
          62.0       2.6
          63.0       7.5
          64.0       1.9
          65.0       9.4
          66.0       1.0
          69.0      13.4
          70.0       1.5
          71.0       1.7
          73.0       1.1
          74.0       4.9
          75.0       6.0
          76.0       6.6
          77.0      21.6
          78.0      25.3
          79.0      10.4
          81.0       2.6
          82.0       5.1
          84.0       1.6
          90.0       1.2
          91.0       5.5
          92.0       1.6
          93.0       1.3
          96.0       1.2
          97.0       8.0
         104.0       3.8
         105.0      20.0
         106.0       1.8
         107.0       1.7
         108.0      12.1
         109.0      10.0
         110.0       1.3
         121.0      39.3
         122.0      34.9
         123.0       8.3
         124.0       4.0
         125.0       2.3
         135.0      21.9
         136.0       4.3
         137.0       4.0
         149.0       3.3
         150.0      14.1
         151.0      13.1
         152.0       2.7
         153.0      37.4
         154.0       3.3
         155.0       2.0
         168.0     100.0
         169.0       9.6
         170.0       5.1
    

KBr disc

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nujol mull

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