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

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

    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

    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

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2,1,3-苯并噻二唑(273-13-2)ESR图谱相关产品图谱

2,1,3-苯并噻二唑(273-13-2)核磁图(¹HNMR) 2,1,3-苯并噻二唑(273-13-2)质谱(MS) 2,1,3-苯并噻二唑(273-13-2)ESR图谱 2,1,3-苯并噻二唑(273-13-2)红外图谱(IR2) 2,1,3-苯并噻二唑(273-13-2)红外图谱(IR1)

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