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网站主页CAS数据库列表 273-13-2更多图谱2,1,3-苯并噻二唑(273-13-2)核磁图(1HNMR)

2,1,3-苯并噻二唑

产品名称 2,1,3-苯并噻二唑

CAS号273-13-2

分子式C6H4N2S

分子量136.17

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  • Mass

    MS-IW-9156          
    2,1,3-benzothiadiazole
    C6H4N2S             (Mass of molecular ion:    136)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       2.3
          27.0       2.1
          28.0       2.7
          32.0       2.7
          37.0       3.2
          38.0       3.2
          39.0       4.3
          45.0      24.4
          46.0      12.2
          47.0       1.3
          50.0       5.6
          51.0       9.6
          52.0       5.7
          53.0       1.3
          57.0       1.1
          58.0       3.2
          59.0       1.8
          62.0       1.1
          63.0       3.4
          64.0       5.6
          65.0       1.4
          68.0       4.2
          69.0       1.5
          70.0       4.8
          71.0       1.3
          75.0       2.1
          76.0       5.5
          77.0       5.2
          78.0       4.0
          82.0       2.4
          83.0       2.7
          84.0       1.3
          90.0       8.5
          92.0       4.8
          96.0       1.8
         103.0       2.3
         109.0      15.9
         110.0       3.4
         135.0       6.3
         136.0     100.0
         137.0       8.5
         138.0       4.7
    

parameter in acetone

parameter in CDCl3


  • 1H NMR 300 MHz
    C6 H4 N2 S in acetone
    2,1,3-benzothiadiazole
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.050 D(B) 7.723 J(A,A') 0.93 J(A,B) 8.86 J(A,B') 1.10 J(A',B) 1.10 J(A',B') 8.86 J(B,B') 6.65 TOBIASON,F.L. & GOLDSTEIN,J.H. SPECTROCHIM.ACTA 25A, 1027 (1969)

         Hz     ppm     Int.
    

       2424.43   8.081     71
       2422.81   8.076    103
       2420.19   8.067    822
       2416.99   8.057    668
       2413.51   8.045    597
       2410.23   8.034   1000
       2407.49   8.025    137
       2406.08   8.020    101
       2325.83   7.753    101
       2324.41   7.748    137
       2321.68   7.739   1000
       2318.40   7.728    597
       2314.91   7.716    668
       2311.72   7.706    822
       2309.09   7.697    103
       2307.47   7.692     71
    


  • 1H NMR 300 MHz
    C6 H4 N2 S ca 10 wt% in CDCl3
    2,1,3-benzothiadiazole
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.966 D(B) 7.531 J(A,A') 0.89 J(A,B) 8.93 J(A,B') 1.15 J(A',B) 1.15 J(A',B') 8.93 J(B,B') 6.66 BOULTON,A.J. ET AL. ORG.MAGN.RESON. 1, 311 (1969)

         Hz     ppm     Int.
    

       2399.16   7.997     76
       2397.64   7.992    108
       2395.00   7.983    860
       2391.75   7.972    688
       2388.20   7.961    628
       2384.92   7.950    999
       2382.20   7.941    134
       2380.83   7.936    100
       2268.27   7.561    100
       2266.91   7.556    134
       2264.19   7.547   1000
       2260.90   7.536    628
       2257.35   7.524    688
       2254.11   7.514    860
       2251.47   7.505    108
       2249.94   7.500     76
    



nujol mull





ANION RADICAL, REDUCTION WITH K IN THF AT -40C