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返回ChemicalBook首页>CAS数据库列表>51546-12-4更多图谱> 2-氯-5-(甲硫基)苯甲酸(51546-12-4)红外图谱(IR2)

51546-12-4

2-氯-5-(甲硫基)苯甲酸(51546-12-4)红外图谱(IR2)

分子式:C8H7ClO2S

分子量: 202.66

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    Mass

    MS-NW-8261          
    2-chloro-5-(methylthio)benzoic acid
    C8H7ClO2S           (Mass of molecular ion:    202)
    

       Source Temperature: 160 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       4.4
          28.0       1.3
          39.0       1.2
          45.0      10.6
          46.0       1.7
          47.0       2.1
          50.0       2.3
          51.0       1.6
          53.0       1.1
          61.0       1.5
          62.0       2.4
          63.0       6.4
          69.0       4.5
          71.0       1.1
          72.0       1.7
          73.0       2.2
          74.0       4.1
          75.0       5.3
          77.0       3.4
          81.0       1.1
          82.0       1.4
          83.0       1.3
          83.5       1.4
          84.0       1.0
          92.0       2.1
          93.0       1.1
          95.0       2.0
          97.0       1.1
          99.0       3.4
         101.0       2.1
         105.0       1.1
         106.0       1.7
         107.0       4.6
         108.0       5.9
         109.0       1.2
         110.0       1.5
         111.0       1.5
         112.0       1.0
         121.0       5.9
         122.0       3.8
         123.0       2.6
         125.0       1.0
         131.0       1.1
         133.0       1.6
         138.0       1.2
         139.0       4.9
         141.0       2.0
         142.0       4.1
         143.0       2.0
         144.0       1.6
         151.0       5.3
         155.0       1.6
         156.0       3.2
         157.0       6.6
         158.0       1.8
         159.0       2.8
         167.0       1.9
         169.0       4.5
         171.0       3.0
         185.0      10.9
         186.0       1.1
         187.0      14.4
         188.0       1.4
         189.0       4.1
         202.0     100.0
         203.0       9.9
         204.0      37.4
         205.0       3.6
         206.0       1.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H7 Cl O2 S 0.036 g : 0.5 ml CDCl3
    2-chloro-5-(methylthio)benzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10. B 7.853 C 7.382 D 7.330 E 2.510

         Hz     ppm     Int.
    

       3139.80   7.857    161
       3137.51   7.851    165
       2955.93   7.397     92
       2947.54   7.376    182
       2933.65   7.341    105
       2931.37   7.335    104
       2925.26   7.320     56
       2922.82   7.314     56
       1003.27   2.511   1000
    

in CDCl3

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KBr disc

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nujol mull

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