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2-巯基烟酸

产品名称 2-巯基烟酸

CAS号38521-46-9

分子式C6H5NO2S

分子量155.17


  • Mass

    MS-IW-8677          
    2-mercaptonicotinic acid
    C6H5NO2S            (Mass of molecular ion:    155)
    

       Source Temperature: 180 °C
       Sample Temperature: 220 °C
       Direct, 75 eV
    

          18.0       3.6
          26.0       1.8
          27.0       1.8
          28.0       5.8
          32.0       1.1
          34.0       1.1
          37.0       2.8
          38.0       5.0
          39.0      19.7
          40.0       1.8
          41.0       2.2
          44.0       6.8
          45.0       7.5
          49.0       1.9
          50.0       7.8
          51.0      10.9
          52.0       4.4
          53.0       2.1
          54.0       1.8
          54.5       1.5
          55.0       1.6
          57.0       3.1
          58.0       3.1
          59.0       1.2
          60.0       1.3
          64.0       3.2
          65.0       2.1
          66.0       4.0
          67.0      40.0
          68.0       2.3
          68.5       2.7
          69.0       6.7
          70.0       2.5
          71.0       1.7
          75.0       1.6
          76.0       3.7
          77.0       6.3
          77.5       2.4
          78.0       7.9
          79.0       4.5
          81.0       5.2
          82.0      19.0
          83.0      17.8
          84.0       4.9
          85.0       1.3
          93.0       9.8
          94.0       2.5
          98.0       1.3
         108.0       1.1
         109.0      38.3
         110.0      14.6
         111.0      40.1
         112.0       3.3
         113.0       1.8
         137.0      61.4
         138.0       8.3
         139.0       3.4
         154.0       1.6
         155.0     100.0
         156.0       8.9
         157.0       5.1
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H5 N O2 S 0.041 g : 0.5 ml DMSO-d6
    2-mercaptonicotinic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 14.6 B 8.552 C 8.188 D 7.166

         Hz     ppm     Int.
    

       5838.87  14.610    471
       3422.85   8.565    924
       3420.90   8.560    932
       3415.28   8.546    950
       3413.33   8.541    956
       3276.61   8.199    945
       3274.66   8.194    932
       3270.51   8.184   1000
       3268.80   8.180    923
       3263.18   8.166     24
       2870.85   7.184    949
       2864.75   7.169    979
       2863.28   7.165    953
       2857.18   7.150    915
    

in DMSO-d6



KBr disc



nujol mull