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网站主页CAS数据库列表 94-97-3更多图谱5-氯代苯并三氮唑(94-97-3)质谱(MS)

5-氯代苯并三氮唑

产品名称 5-氯代苯并三氮唑

CAS号94-97-3

分子式C6H4ClN3

分子量153.57

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  • Mass

    MS-NW-6850          
    5-chlorobenzotriazole
    C6H4ClN3            (Mass of molecular ion:    153)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       3.1
          26.0       1.7
          28.0       2.9
          29.0       2.9
          36.0       2.2
          37.0      12.1
          38.0      13.5
          39.0       6.7
          40.0       1.2
          44.0       1.6
          44.5       7.0
          47.0       2.6
          48.0       1.1
          49.0       3.5
          50.0       4.9
          51.0       3.4
          52.0      15.8
          60.0       2.6
          61.0      12.3
          62.0      24.9
          62.5       2.9
          63.0      86.4
          64.0      12.1
          65.0       5.4
          72.0       3.6
          73.0       6.5
          74.0       3.5
          75.0       3.3
          76.0       2.0
          76.5       1.5
          86.0       1.6
          87.0       2.8
          88.0       4.6
          89.0      12.1
          90.0      40.5
          91.0       3.1
          97.0       3.6
          98.0      30.1
          99.0       3.6
         100.0       9.6
         124.0       3.5
         125.0      75.5
         126.0       6.5
         127.0      25.5
         128.0       1.7
         153.0     100.0
         154.0       8.2
         155.0      32.0
         156.0       2.6
    

parameter in DMSO-d6

90 MHz in DMSO-d6


  • 1H NMR 300 MHz
    C6 H4 Cl N3 0.036 g : 0.5 ml DMSO-d6
    5-chlorobenzotriazole
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 14.00 D(B) 8.06 D(C) 8.02 D(D) 7.479 J(B,C) 0.8 J(B,D) 1.86 J(C,D) 8.76

         Hz     ppm     Int.
    

       4200.00  14.000     58
       2418.64   8.062   1000
       2417.48   8.058    963
       2416.81   8.056    937
       2410.80   8.036    834
       2410.19   8.034    764
       2402.04   8.007    901
       2401.43   8.005    855
       2248.91   7.496    720
       2247.09   7.490    708
       2240.16   7.467    649
       2238.33   7.461    635
    


  • 1H NMR 89.56 MHz
    C6 H4 Cl N3 0.036 g : 0.5 ml DMSO-d6
    5-chlorobenzotriazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 14. B 8.06 C 8.02 D 7.479 J(C,D)=8.8HZ. J(B,D)=1.9HZ. J(B,C)=0.6HZ.

         Hz     ppm     Int.
    

        723.52   8.079    486
        722.75   8.071    826
        721.43   8.056   1000
        720.88   8.050    977
        712.53   7.956    766
        711.87   7.949    721
        674.50   7.532    821
        672.63   7.511    777
        665.70   7.434    556
        663.83   7.413    569
    

in DMSO-d6



KBr disc



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