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网站主页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)核磁图(1HNMR)

2-氯-5-(甲硫基)苯甲酸

产品名称 2-氯-5-(甲硫基)苯甲酸

CAS号51546-12-4

分子式C8H7ClO2S

分子量202.66


  • 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


  • 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



KBr disc



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