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15965-30-7

4,5-二氯咪唑(15965-30-7)Raman光谱

产品名称:4,5-二氯咪唑

CAS:15965-30-7

分子式:C3H2Cl2N2

分子量: 136.97

InChI:InChI=1S/C3H2Cl2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)

InChIKey: QAJJXHRQPLATMK-UHFFFAOYSA-N

Smiles:C1NC(Cl)=C(Cl)N=1

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    Mass

    MS-IW-3640          
    4,5-dichloroimidazole
    C3H2Cl2N2           (Mass of molecular ion:    136)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       2.1
          28.0       7.2
          35.0       1.9
          36.0       1.7
          38.0       6.3
          39.0       4.6
          47.0      18.7
          48.0       3.5
          49.0       6.3
          50.0       1.3
          62.0       7.5
          64.0       2.8
          66.0       1.3
          68.0       1.1
          73.0       6.6
          74.0      19.5
          75.0       6.6
          76.0       6.4
          77.0       1.5
          82.0      32.9
          84.0      21.1
          86.0       3.4
         100.0       2.5
         101.0       5.9
         102.0       1.1
         103.0       2.0
         108.0       2.8
         109.0      93.8
         110.0       4.1
         111.0      60.3
         112.0       1.9
         113.0       9.9
         136.0     100.0
         137.0       4.4
         138.0      64.2
         139.0       3.2
         140.0      10.3
         143.0       3.9
         145.0       3.5
         147.0       1.1
         170.0       3.0
         172.0       2.9
         189.0       1.2
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C3 H2 Cl2 N2 0.034 g : 0.5 ml DMSO-d6
    4,5-dichloroimidazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.733

         Hz     ppm     Int.
    

       3090.45   7.733   1000
    

in DMSO-d6 (at 80.C)

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KBr disc

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nujol mull

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