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56-05-3

2-氨基-4,6-二氯嘧啶(56-05-3)质谱(MS)

分子式:C4H3Cl2N3

分子量: 163.99

InChI:InChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)

InChIKey: JPZOAVGMSDSWSW-UHFFFAOYSA-N

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

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    Mass

    MS-NW-9775          
    2-amino-4,6-dichloropyrimidine
    C4H3Cl2N3           (Mass of molecular ion:    163)
    

       Source Temperature: 130 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          28.0       4.4
          38.0       2.8
          39.0       2.9
          40.0       3.3
          42.0       1.9
          43.0       8.1
          46.5       2.2
          47.0       1.1
          51.0       4.8
          52.0       1.3
          53.0       2.1
          60.0       1.8
          62.0       5.4
          64.0       2.2
          65.0       3.5
          66.0       4.2
          67.0      25.5
          68.0       1.4
          74.0       2.9
          76.0       1.2
          85.0       1.1
          86.0       5.7
          87.0       1.2
          88.0       1.9
          92.0      20.9
          93.0       1.1
         128.0     100.0
         129.0       5.7
         130.0      32.2
         131.0       1.7
         163.0      83.8
         164.0       5.7
         165.0      53.9
         166.0       3.6
         167.0       8.9
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C4 H3 Cl2 N3 0.038 g : 0.5 ml DMSO-d6
    2-amino-4,6-dichloropyrimidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.63 B 6.861

         Hz     ppm     Int.
    

       3047.36   7.626    377
       2741.94   6.861   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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