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156-83-2

2,4-二氨基-6-氯嘧啶(156-83-2)Raman光谱

分子式:C4H5ClN4

分子量: 144.56

InChI:InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)

InChIKey: QJIUMVUZDYPQRT-UHFFFAOYSA-N

Smiles:C1(N)=NC(Cl)=CC(N)=N1

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    Mass

    MS-NW-9997          
    6-chloro-2,4-pyrimidinediamine
    C4H5ClN4            (Mass of molecular ion:    144)
    

       Source Temperature: 170 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          18.0       1.9
          28.0       5.7
          38.0       1.4
          39.0       2.8
          40.0       6.8
          41.0       1.9
          42.0       2.4
          43.0      29.9
          53.0       1.2
          55.0       1.1
          62.0       1.3
          65.0       1.1
          66.0       5.2
          67.0      47.8
          68.0       3.1
          74.0       1.6
          89.0       1.3
          92.0       2.9
         109.0      66.3
         110.0       3.9
         116.0       1.8
         117.0       4.4
         119.0       1.4
         128.0       1.5
         144.0     100.0
         145.0       8.2
         146.0      32.6
         147.0       2.6
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C4 H5 Cl N4 0.033 g : 0.5 ml DMSO-d6
    6-chloro-2,4-pyrimidinediamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 6.61 B *1 6.37 C 5.717

         Hz     ppm     Int.
    

       2643.19   6.614    162
       2545.41   6.370    199
       2284.79   5.717   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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